data_2oa4_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 2oa4 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 11' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 22' ' ' THR . 3.4 p -130.21 145.24 51.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 0.0 111.492 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 20' ' ' ILE . 11.3 m -102.47 152.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.07 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.622 ' HG1' HG22 ' A' ' 20' ' ' ILE . 22.4 m -103.79 127.19 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.849 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 44' ' ' ARG . 45.6 mt -73.77 160.14 82.71 Favored Pre-proline 0 C--N 1.318 -0.798 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.56 -28.42 21.86 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.661 2.241 . . . . 0.0 112.848 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -154.58 21.78 0.47 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.866 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.71 34.61 3.26 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.746 -1.216 . . . . 0.0 114.499 -169.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 14' ' ' THR . 13.5 t 59.06 -162.17 0.25 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.855 0.36 . . . . 0.0 111.032 173.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.622 HG22 ' HG1' ' A' ' 14' ' ' THR . 31.8 pt -102.09 140.78 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.325 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.0 ttp -138.45 148.7 44.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 12' ' ' SER . 48.0 p -98.25 178.36 5.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.253 0.549 . . . . 0.0 111.662 -175.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' HG2' HD13 ' A' ' 50' ' ' LEU . 87.7 mtm180 -81.26 2.74 26.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.14 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.55 -23.34 15.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.852 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.36 8.22 39.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.446 0.641 . . . . 0.0 111.112 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.77 123.27 89.19 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.727 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HG2' HG23 ' A' ' 42' ' ' VAL . 31.6 Cg_exo -60.3 111.5 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.628 2.219 . . . . 0.0 110.971 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.65 49.55 2.46 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.301 2.667 . . . . 0.0 112.675 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.54 -45.82 0.63 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.848 0.859 . . . . 0.0 111.769 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -71.25 -74.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.726 HG21 ' H ' ' A' ' 32' ' ' ARG . 2.2 m 60.48 -170.76 0.14 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.726 ' H ' HG21 ' A' ' 31' ' ' THR . 47.7 mtt180 -118.21 -73.9 0.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.777 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -112.2 121.92 46.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.473 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 96.1 m95 -85.21 93.82 8.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.4 m -90.77 167.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.97 8.37 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.11 0.256 . . . . 0.0 111.493 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.5 t -57.11 -34.28 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.883 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 6.4 tpm_? -68.93 -43.42 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.301 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' A' ' 34' ' ' TRP . 95.1 mttt -68.64 -50.46 51.11 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.913 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.427 HG13 HD22 ' A' ' 74' ' ' LEU . 1.7 mp -58.73 -34.34 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.625 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.84 73.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.489 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG23 ' HG2' ' A' ' 27' ' ' PRO . 11.9 t -67.08 -59.19 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -42.83 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.572 ' HB3' HD23 ' A' ' 15' ' ' LEU . 53.7 mtt180 -70.35 -37.11 74.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.908 0.385 . . . . 0.0 110.562 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.42 -50.64 30.94 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.825 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG21 HG13 ' A' ' 47' ' ' ILE . 30.0 m -69.85 -49.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.733 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.536 HG13 HG21 ' A' ' 46' ' ' VAL . 67.5 mt -73.12 -44.6 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.873 -172.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -91.12 -26.73 18.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.012 0.434 . . . . 0.0 110.887 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.06 -53.27 1.03 Allowed Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.413 -0.899 . . . . 0.0 114.266 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 HD13 ' HG2' ' A' ' 23' ' ' ARG . 3.7 mm? -105.68 -76.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -165.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -131.66 -172.84 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.339 0.59 . . . . 0.0 112.23 -164.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.9 p -86.1 171.14 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.384 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 34.3 tp -72.4 -12.08 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.926 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -51.93 57.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.169 0.509 . . . . 0.0 109.84 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 51' ' ' ILE . 74.8 mm-40 -73.84 -39.56 63.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.544 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -66.32 -18.53 65.41 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.739 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 5.8 ttpm? -89.84 -38.46 13.74 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.468 176.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.67 -36.36 70.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.653 0.263 . . . . 0.0 111.111 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -92.16 -57.46 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 56' ' ' ALA . 38.5 m-85 -105.21 15.27 27.72 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -171.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -73.62 -19.84 79.75 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.876 -171.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.523 HD21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 36.75 -102.76 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.599 0.759 . . . . 0.0 112.045 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 66' ' ' GLU . 20.3 m -113.14 133.77 54.87 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 171.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.84 -40.04 91.34 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.259 -0.177 . . . . 0.0 111.324 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.5 -33.63 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 60.8 tt0 -61.81 -48.43 80.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.926 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -60.3 -41.45 93.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.035 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.99 -38.94 90.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.105 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 m -63.54 -28.9 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.523 ' HH2' HD21 ' A' ' 62' ' ' LEU . 45.4 m0 -69.93 -47.37 62.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.255 0.55 . . . . 0.0 109.623 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.24 -38.58 82.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.3 t -61.88 -35.73 79.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.43 -30.54 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.239 0.543 . . . . 0.0 110.243 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 HD22 HG13 ' A' ' 40' ' ' ILE . 93.4 mt -84.08 -11.59 56.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.473 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.53 -56.74 4.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 67.6 -61.22 0.37 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.886 0.741 . . . . 0.0 110.883 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -101.47 112.38 24.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.01 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.94 54.03 0.68 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.984 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -88.28 -48.73 7.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.396 0.617 . . . . 0.0 109.482 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.3 m-20 -87.15 -35.03 18.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.91 -12.99 0.36 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.886 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' A' ' 80' ' ' ASP . 48.5 tp -104.68 -9.64 18.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.297 0.57 . . . . 0.0 109.791 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -86.93 7.17 28.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.04 123.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 m -44.54 -54.44 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.37 68.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.026 0.441 . . . . 0.0 111.782 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.51 -39.64 13.19 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.47 -39.0 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.924 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 28.6 mmtp -72.31 -41.89 66.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -69.42 -14.98 63.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 111.084 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.49 ' HG2' HD11 ' A' ' 82' ' ' LEU . 18.3 tpt85 -99.99 -44.8 5.9 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.158 -0.338 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -70.6 -36.25 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.359 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.3 tp . . . . . 0 N--CA 1.465 0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.719 -175.48 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.471 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.3 mmt180 . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 p -92.69 108.91 20.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.136 172.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' ILE . 25.6 m -92.85 148.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.458 . . . . 0.0 111.563 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 m -98.52 115.75 29.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.032 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.54 ' HB3' ' HD2' ' A' ' 16' ' ' PRO . 88.2 mt -82.86 160.9 59.87 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.436 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 57.4 Cg_endo -69.9 -3.56 12.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.661 2.24 . . . . 0.0 112.841 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.1 1.39 28.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.29 -10.2 56.46 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.062 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 15' ' ' LEU . 17.1 m -75.38 129.18 36.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.371 . . . . 0.0 111.608 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 pt -101.55 105.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 172.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.7 ttp -114.58 128.68 56.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.396 -174.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 2.4 m -92.89 168.23 11.3 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.759 ' HA ' HD23 ' A' ' 26' ' ' LEU . 68.1 ttp85 -64.43 -6.1 6.6 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.272 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -20.51 65.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.986 0.422 . . . . 0.0 110.448 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -99.16 -5.05 30.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.808 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 23' ' ' ARG . 4.6 mm? -85.08 114.62 57.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.15 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.596 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 16.7 Cg_exo -69.23 110.63 2.49 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 123.085 2.523 . . . . 0.0 111.721 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -62.09 -46.91 11.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.372 2.048 . . . . 0.0 111.413 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -170.63 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.153 176.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -116.43 79.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.117 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.596 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 13.8 t -83.15 178.94 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.637 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -82.24 75.84 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.608 0.242 . . . . 0.0 110.685 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 69.76 134.8 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 124.233 0.958 . . . . 0.0 111.837 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -82.53 78.1 9.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.25 177.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.162 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.1 83.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.342 . . . . 0.0 111.378 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 m -61.6 -30.46 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.761 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -75.43 -44.74 42.89 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.897 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -55.69 -55.4 32.65 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.276 0.56 . . . . 0.0 111.208 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.501 HG22 ' HD2' ' A' ' 44' ' ' ARG . 45.1 mt -66.21 -29.18 45.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.631 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.45 94.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.967 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.653 ' O ' HG22 ' A' ' 46' ' ' VAL . 11.7 t -62.85 -57.86 10.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -38.53 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HD2' HG22 ' A' ' 40' ' ' ILE . 29.1 mtt180 -63.97 -51.88 62.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.791 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.563 ' HA3' HD13 ' A' ' 26' ' ' LEU . . . -61.17 -50.76 63.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.929 -175.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 42' ' ' VAL . 22.3 m -66.8 -64.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.993 0.397 . . . . 0.0 111.448 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.584 HG13 HG21 ' A' ' 46' ' ' VAL . 42.4 mt -62.13 -43.35 97.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 122.748 0.419 . . . . 0.0 112.013 -168.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -88.56 -40.37 13.43 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.467 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -101.15 -52.65 1.06 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.277 -0.963 . . . . 0.0 114.579 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.59 -75.27 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -166.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 55' ' ' GLU . 2.0 pp -141.21 168.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -70.99 169.45 14.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.384 0.611 . . . . 0.0 111.105 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.26 -28.55 69.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.95 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.73 79.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.065 0.46 . . . . 0.0 110.45 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.524 ' HB2' HD11 ' A' ' 51' ' ' ILE . 7.4 mm-40 -72.59 -44.08 62.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -55.43 -49.66 71.83 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.194 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -55.71 -47.32 77.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.644 0.259 . . . . 0.0 110.571 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -60.85 -42.36 97.67 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.0 m -100.29 -53.2 3.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 112.064 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 32.5 m-85 -105.53 15.63 26.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.049 -173.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.486 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -72.35 -23.5 77.84 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.213 -175.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 44.05 -97.95 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.526 0.73 . . . . 0.0 111.214 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 32.6 t -115.94 127.33 54.88 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 166.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.44 -40.72 62.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 123.293 0.37 . . . . 0.0 110.829 -174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.23 -36.15 83.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.262 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.96 -51.78 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -62.81 -45.97 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.398 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.41 -37.07 72.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.71 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -62.68 -35.97 81.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -66.08 -46.89 76.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.16 0.505 . . . . 0.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.64 -42.46 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.015 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -62.31 -35.72 79.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.509 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.37 72.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -77.28 -27.76 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.522 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 84' ' ' VAL . . . -85.73 8.13 20.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.239 -175.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.8 58.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.9 p80 58.73 16.53 4.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.349 176.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.74 10.13 50.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.439 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 13.9 tmtt? -92.56 -45.97 7.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.983 0.42 . . . . 0.0 110.536 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.59 24.9 9.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.212 0.53 . . . . 0.0 110.674 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.88 -6.88 13.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.734 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -99.54 0.98 43.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' A' ' 83' ' ' LYS . 3.4 tmmm? -114.37 -34.84 5.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.826 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 75' ' ' ALA . 40.7 t -59.5 114.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.596 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -55.34 -43.32 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.26 82.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.148 0.499 . . . . 0.0 111.538 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.66 -41.46 14.2 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -59.08 -36.37 74.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.014 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -64.54 -52.11 59.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -57.96 -45.67 86.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 91' ' ' ARG . 6.6 tpt180 -66.89 -41.6 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.204 -176.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -77.87 -27.86 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.028 0.442 . . . . 0.0 110.624 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.5 tp . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 178.299 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 p -162.16 157.14 22.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HA2' ' A' ' 49' ' ' GLY . 2.3 m -112.84 118.61 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.467 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 19' ' ' SER . 23.9 m -77.9 115.54 17.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.392 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HB2' ' CA ' ' A' ' 18' ' ' GLY . 37.6 mt -66.4 154.34 90.9 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.6 -30.79 9.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.312 2.674 . . . . 0.0 112.622 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -142.39 11.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 15' ' ' LEU . . . -116.47 24.78 9.55 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.584 -1.293 . . . . 0.0 114.286 -166.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.657 ' O ' ' HA ' ' A' ' 14' ' ' THR . 61.1 m 62.46 -172.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.976 0.417 . . . . 0.0 111.602 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 pt -76.82 106.62 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.39 0.614 . . . . 0.0 110.643 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.4 ttt -96.13 124.22 40.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.773 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -102.34 160.66 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -72.02 -5.58 36.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.011 0.434 . . . . 0.0 110.707 -178.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.71 -13.97 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.093 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.02 -0.93 57.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' A' ' 23' ' ' ARG . 79.8 mt -81.65 129.08 66.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.745 -175.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.658 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 71.7 Cg_exo -49.07 125.02 12.47 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.875 3.05 . . . . 0.0 112.362 171.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.73 41.13 0.77 Allowed 'Trans proline' 0 N--CA 1.472 0.236 0 C-N-CA 123.459 2.773 . . . . 0.0 113.204 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.58 -60.43 0.47 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.757 0.661 . . . . 0.0 111.191 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -94.53 48.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.29 0.567 . . . . 0.0 109.883 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.658 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.3 m -51.21 131.67 28.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.954 177.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -84.2 -11.55 56.33 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.98 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.4 mpt_? -126.15 85.85 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.408 176.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -89.09 66.83 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.98 0.419 . . . . 0.0 110.642 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 m -80.17 159.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -55.46 -49.28 72.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.191 0.307 . . . . 0.0 110.942 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m -58.59 -28.05 65.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.656 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.514 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.8 ttm180 -81.69 -44.78 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.335 -0.228 . . . . 0.0 111.251 -176.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HA ' HG22 ' A' ' 42' ' ' VAL . 14.8 ptpt -68.38 -33.37 74.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.876 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 HD23 ' A' ' 74' ' ' LEU . 29.4 mm -62.77 -35.7 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.088 0.47 . . . . 0.0 110.085 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.67 69.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 27' ' ' PRO . 28.4 t -61.33 -54.35 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -60.2 -41.28 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.153 178.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 44' ' ' ARG . 53.2 mtt180 -62.71 -47.35 84.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.712 0.291 . . . . 0.0 110.625 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.4 -38.1 93.29 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.289 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 47' ' ' ILE . 28.1 m -78.76 -59.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.421 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.551 HG13 HG21 ' A' ' 46' ' ' VAL . 70.2 mt -65.58 -47.78 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.021 0.439 . . . . 0.0 111.872 -172.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -85.0 -25.04 27.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.353 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.52 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.21 -75.33 1.13 Allowed Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.5 -0.857 . . . . 0.0 115.036 -169.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD22 ' HB3' ' A' ' 23' ' ' ARG . 8.0 mp -106.31 -76.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -162.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.559 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.24 173.84 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.55 . . . . 0.0 112.33 -166.018 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -79.69 171.42 15.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.374 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.198 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.54 -53.81 53.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -64.24 -43.85 93.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 0.0 109.815 -179.384 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.43 -9.68 57.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.735 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -94.55 -44.78 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.362 . . . . 0.0 110.364 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 -30.56 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.67 0.272 . . . . 0.0 110.923 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.4 m -100.25 -54.4 2.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.9 m-85 -106.1 17.09 24.06 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.7 -29.49 49.41 Favored Glycine 0 C--N 1.331 0.266 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 -169.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 52.25 -91.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 121.681 0.753 . . . . 0.0 110.531 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.53 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 40.3 m -148.05 144.4 27.87 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.43 -47.92 72.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.988 0.18 . . . . 0.0 111.472 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 3.1 tp10 -62.89 -35.84 81.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 111.225 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.28 -54.79 43.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -62.08 -38.85 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.547 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -57.99 -41.13 82.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.0 m -61.81 -34.56 76.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.02 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -64.78 -54.81 25.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 109.92 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.69 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.932 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 t -63.67 -34.41 77.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 110.675 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.85 -32.94 46.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.115 0.483 . . . . 0.0 110.294 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.586 HD23 HG21 ' A' ' 40' ' ' ILE . 89.3 mt -79.0 -19.45 51.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.949 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.86 -11.43 59.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.356 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.24 -67.36 0.22 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.353 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -88.28 -44.87 10.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.902 0.382 . . . . 0.0 110.566 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.46 -142.23 33.59 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 69.16 -65.68 0.28 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.649 0.78 . . . . 0.0 111.387 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -84.96 -55.84 3.86 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.515 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 67.99 1.0 2.57 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.235 -0.893 . . . . 0.0 113.011 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.0 tp -88.67 -35.04 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.045 0.45 . . . . 0.0 110.447 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 8.3 mptt -93.92 5.52 51.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.43 125.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -51.79 -47.86 64.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.79 70.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 87' ' ' LEU . 2.7 tm? -89.67 -38.7 13.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -173.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.18 -45.91 75.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.8 174.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 36.6 mtpt -67.1 -41.42 86.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.75 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -57.42 -51.79 67.99 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.404 0.44 . . . . 0.0 110.434 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -69.41 -45.35 69.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.59 -29.04 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 120.541 0.21 . . . . 0.0 110.722 178.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.47 ' HB2' HG21 ' A' ' 22' ' ' THR . 20.8 t -136.03 145.22 45.82 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.613 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.3 m -116.37 139.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.58 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -93.91 107.52 19.41 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 17' ' ' ASP . 86.4 mt -70.01 139.72 88.05 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.07 -6.54 5.11 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 123.115 2.543 . . . . 0.0 111.479 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 15' ' ' LEU . 15.5 t70 -71.48 -24.91 62.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.771 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.81 1.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.675 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -159.04 135.54 9.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 pt -91.2 127.74 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.302 0.572 . . . . 0.0 110.546 176.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.7 mmm -122.67 142.39 50.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 12' ' ' SER . 66.6 p -114.64 171.4 7.66 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -31.27 70.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.25 62.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.933 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -76.9 -23.28 52.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.41 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.491 HD21 ' HA3' ' A' ' 45' ' ' GLY . 91.7 mt -70.28 131.95 88.24 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.489 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.643 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 19.1 Cg_exo -38.41 119.05 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 124.318 3.346 . . . . 0.0 113.322 176.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.24 47.72 2.11 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.36 2.707 . . . . 0.0 112.915 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.97 -51.53 0.68 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.742 0.817 . . . . 0.0 111.743 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -64.79 -77.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.643 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 4.8 m 65.22 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.995 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -86.56 108.97 18.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.012 0.434 . . . . 0.0 111.612 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 34' ' ' TRP . 30.4 ttp180 76.61 -35.37 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.863 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 31' ' ' THR . 81.5 m95 68.74 100.23 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.029 0.442 . . . . 0.0 111.776 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 26.9 m -90.74 154.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -60.94 -40.39 93.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.9 t -58.36 -34.57 70.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.802 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.592 ' O ' HG22 ' A' ' 42' ' ' VAL . 16.9 ttm-85 -80.39 -30.06 37.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.688 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 24.7 mtpp -64.71 -46.93 80.19 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 74' ' ' LEU . 74.9 mt -62.58 -31.95 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.5 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.28 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.197 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -67.37 -55.79 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.831 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.406 HG12 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -58.49 -41.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.533 ' O ' ' HB3' ' A' ' 48' ' ' TYR . 72.1 mtm180 -71.14 -33.79 70.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.804 0.335 . . . . 0.0 110.694 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.491 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.82 -47.96 36.9 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.819 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG21 HG13 ' A' ' 47' ' ' ILE . 29.5 m -72.92 -50.76 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 122.677 -0.308 . . . . 0.0 111.798 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.588 HG13 HG21 ' A' ' 46' ' ' VAL . 84.5 mt -72.34 -40.75 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 111.838 -172.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.533 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 88.4 t80 -88.75 -26.75 21.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 0.0 111.076 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.45 -57.28 0.84 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.611 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -106.1 -75.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -164.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.522 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -135.16 -173.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.115 0.483 . . . . 0.0 112.289 -164.558 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.455 ' HB ' ' OH ' ' A' ' 90' ' ' TYR . 44.8 p -90.04 177.74 6.38 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.224 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD11 ' CE1' ' A' ' 67' ' ' PHE . 46.3 tp -70.78 -19.81 62.66 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.592 0.234 . . . . 0.0 110.753 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.37 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.48 ' HB2' HG13 ' A' ' 51' ' ' ILE . 4.7 mp0 -70.7 -38.93 73.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.141 0.496 . . . . 0.0 110.125 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -6.63 44.3 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.352 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 37.2 ttmt -92.82 -41.11 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -58.48 -44.4 89.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.034 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 m -96.68 -53.38 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.905 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 44.1 m-85 -106.93 16.52 24.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -171.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.415 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -55.96 -37.44 70.64 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 50.3 -92.53 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 -174.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 22.6 m -143.02 147.13 34.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.139 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.11 -48.38 81.93 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.782 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.03 -38.09 78.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.14 -61.8 2.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 53' ' ' LEU . 28.7 t80 -60.28 -42.38 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -65.46 -30.59 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.2 t -62.91 -32.73 74.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.41 ' CZ3' ' HB ' ' A' ' 42' ' ' VAL . 21.6 m0 -68.65 -49.24 60.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 109.986 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.35 -38.42 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.27 -34.16 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.939 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -32.97 65.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.179 0.514 . . . . 0.0 110.269 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.4 HD13 HG21 ' A' ' 40' ' ' ILE . 96.5 mt -79.48 -10.65 59.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.647 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -97.3 7.06 47.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.777 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 8.0 tp10 70.2 -82.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.614 0.571 . . . . 0.0 109.782 -176.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 76' ' ' GLU . 84.5 m-70 -135.11 -2.7 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.304 176.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.06 -82.07 0.54 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.188 -0.53 . . . . 0.0 112.18 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 69.96 -66.57 0.27 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.505 1.122 . . . . 0.0 111.559 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.16 -36.33 9.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.398 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 64.34 20.11 12.04 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.652 0.595 . . . . 0.0 110.956 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -108.71 -33.25 7.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.538 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -104.09 5.77 35.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.092 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.09 105.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.327 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.4 m -45.4 -59.6 2.6 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.826 0.704 . . . . 0.0 112.875 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.64 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.86 -42.36 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -174.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -60.51 -38.17 83.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.848 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -74.37 -38.35 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.468 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.455 ' OH ' ' HB ' ' A' ' 52' ' ' THR . 70.3 t80 -61.64 -31.11 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.02 0.438 . . . . 0.0 110.7 177.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -89.77 -40.67 12.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.14 -26.32 63.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.817 0.342 . . . . 0.0 111.45 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 121.374 0.607 . . . . 0.0 110.261 177.009 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.649 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-O 121.272 0.558 . . . . 0.0 109.907 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -140.21 136.39 33.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.901 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.76 136.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.02 -176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -100.18 110.06 22.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.798 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.795 HD13 HH11 ' A' ' 44' ' ' ARG . 91.1 mt -81.77 146.84 57.23 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.014 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -62.84 -3.53 4.73 Favored 'Trans proline' 0 N--CA 1.478 0.59 0 C-N-CA 123.334 2.69 . . . . 0.0 113.583 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.14 -1.32 57.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.03 39.57 10.02 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 128.06 36.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.62 126.74 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.084 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.472 ' HE1' ' HB1' ' A' ' 41' ' ' ALA . 86.9 mtp -120.8 143.85 48.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.708 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -101.45 177.85 4.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.865 0.365 . . . . 0.0 110.326 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HG3' HD12 ' A' ' 50' ' ' LEU . 34.6 ttp-105 -73.84 -1.92 21.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.993 0.425 . . . . 0.0 110.855 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.55 0.44 20.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.163 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.59 0.37 55.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.754 0.311 . . . . 0.0 111.504 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.531 HD23 ' HA3' ' A' ' 45' ' ' GLY . 78.6 mt -83.43 134.04 46.09 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.639 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 84.4 Cg_exo -51.48 111.55 0.61 Allowed 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.967 2.445 . . . . 0.0 112.132 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.99 -48.56 10.09 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.046 2.498 . . . . 0.0 112.745 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -172.49 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.769 0.795 . . . . 0.0 109.873 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -46.07 12.89 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.396 -177.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.639 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 32.4 m 69.63 120.88 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.982 0.802 . . . . 0.0 111.012 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -157.37 115.56 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.817 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -78.86 116.92 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.3 m -119.98 173.87 5.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 168.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.36 99.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.862 0.363 . . . . 0.0 110.68 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -66.56 -24.18 66.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.179 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HB2' HG21 ' A' ' 35' ' ' VAL . 19.5 tpp180 -72.73 -40.69 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.145 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.4 mttt -65.95 -45.12 82.94 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.186 0.517 . . . . 0.0 110.479 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.09 -35.62 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.227 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . -63.41 -30.77 71.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.316 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.543 HG21 ' HG2' ' A' ' 27' ' ' PRO . 18.9 t -66.02 -55.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -35.53 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.537 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.795 HH11 HD13 ' A' ' 15' ' ' LEU . 49.6 mtt180 -66.62 -48.98 67.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.097 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.531 ' HA3' HD23 ' A' ' 26' ' ' LEU . . . -67.15 -30.27 75.49 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.534 -174.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 47' ' ' ILE . 27.5 m -84.33 -57.75 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 46' ' ' VAL . 82.6 mt -67.15 -47.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.97 0.414 . . . . 0.0 111.961 -172.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -90.8 -16.13 28.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.205 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.83 -75.32 1.11 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.282 -0.961 . . . . 0.0 114.567 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD12 ' HG3' ' A' ' 23' ' ' ARG . 68.9 mt -107.56 -76.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -163.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.59 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -119.49 -174.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.11 0.481 . . . . 0.0 112.293 -165.452 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -86.43 171.88 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.134 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.57 -22.37 66.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.375 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.46 -58.12 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' HB3' HG13 ' A' ' 51' ' ' ILE . 24.4 tp10 -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.101 0.476 . . . . 0.0 110.513 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.47 69.34 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.347 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.6 ttpp -83.27 -41.71 18.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.015 0.436 . . . . 0.0 110.254 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.49 -38.1 86.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -97.45 -57.31 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.714 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.405 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 37.6 m-85 -98.61 15.0 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.43 -173.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -76.22 -10.73 85.34 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.563 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 41.9 -97.34 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.507 0.723 . . . . 0.0 111.69 178.554 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.515 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.5 p -120.8 143.54 48.79 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.81 -37.22 70.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.887 0.375 . . . . 0.0 111.192 -172.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.33 -34.69 65.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.581 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -64.08 -46.47 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.351 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.29 -41.78 99.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.974 0.416 . . . . 0.0 110.05 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -69.01 -27.18 65.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -61.87 -40.13 94.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.323 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.493 ' CH2' HD11 ' A' ' 62' ' ' LEU . 28.2 m0 -62.97 -52.0 64.7 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 109.962 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.28 -37.19 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.707 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 m -65.29 -36.66 84.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.53 58.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.375 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.9 mt -80.74 -8.92 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.584 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.94 -12.81 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.191 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 67.16 -57.59 0.42 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.322 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -82.83 -57.19 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.323 0.582 . . . . 0.0 110.173 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 10.72 85.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.601 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.426 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 43.1 mtpt -115.29 -39.09 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.451 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.86 -47.82 64.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.732 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 57.81 21.01 7.04 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.607 0.567 . . . . 0.0 111.254 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.99 -41.06 4.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 -172.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 83.6 tttt -109.74 24.53 12.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.584 0.707 . . . . 0.0 110.528 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.1 t -76.07 97.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.4 m -54.42 -49.24 70.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.505 0.503 . . . . 0.0 112.023 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.2 80.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.014 0.435 . . . . 0.0 111.75 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -86.63 -45.61 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -173.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.69 -32.88 74.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.592 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -67.93 -50.29 56.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -54.36 -52.06 62.81 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.952 0.783 . . . . 0.0 110.436 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -60.14 -51.27 70.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -85.63 0.41 52.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 111.742 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.321 -0.631 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 173.237 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.665 ' HE ' ' HA ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 120.966 0.413 . . . . 0.0 110.585 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 21' ' ' MET . 25.5 t -113.3 140.03 48.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 175.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.3 m -130.73 150.22 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.587 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -96.79 103.78 15.72 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.13 141.4 97.39 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.353 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HG2' HG23 ' A' ' 85' ' ' THR . 27.8 Cg_exo -62.79 -6.12 8.61 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.059 2.506 . . . . 0.0 111.79 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -78.29 -20.44 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.055 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.99 39.95 2.77 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.906 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -139.16 133.13 31.02 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.689 0.28 . . . . 0.0 110.604 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 pt -92.32 112.39 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.276 0.56 . . . . 0.0 109.509 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.446 ' HE3' ' HB2' ' A' ' 41' ' ' ALA . 9.8 tpt -103.16 132.19 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.653 -172.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -121.42 175.32 6.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.797 0.332 . . . . 0.0 110.286 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -67.56 -23.16 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.247 0.546 . . . . 0.0 109.865 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.62 -8.35 59.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.757 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -96.42 1.11 51.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.582 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.516 HD22 ' HA3' ' A' ' 45' ' ' GLY . 94.7 mt -99.87 135.26 20.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.562 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.0 Cg_exo -65.06 108.35 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 123.2 2.6 . . . . 0.0 110.512 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 60.1 Cg_endo -73.16 61.1 3.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.95 2.434 . . . . 0.0 112.368 -176.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.59 9.43 5.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.005 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -166.22 113.69 0.89 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 122.211 1.005 . . . . 0.0 109.727 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.562 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 9.6 t -118.69 159.47 23.58 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.357 168.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.591 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.5 mmp_? -68.57 -24.7 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -160.71 134.05 6.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.114 0.483 . . . . 0.0 110.941 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.656 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 97.5 m95 -90.28 80.41 6.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.9 m -78.55 155.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.26 71.16 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 111.66 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -59.16 -39.6 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG21 ' A' ' 42' ' ' VAL . 13.7 ttt180 -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.471 -175.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.656 ' HD3' ' HB3' ' A' ' 34' ' ' TRP . 10.1 mmmm -65.15 -51.1 63.21 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.583 HD13 HD22 ' A' ' 74' ' ' LEU . 46.7 mm -61.0 -37.2 76.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.683 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB2' ' HE3' ' A' ' 21' ' ' MET . . . -60.55 -37.23 80.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.415 178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 38' ' ' ARG . 21.3 t -62.64 -54.56 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -52.07 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.79 -37.53 87.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.577 0.227 . . . . 0.0 110.924 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.516 ' HA3' HD22 ' A' ' 26' ' ' LEU . . . -70.72 -43.48 59.54 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.989 -178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 42' ' ' VAL . 35.0 m -78.65 -46.58 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 117.133 0.467 . . . . 0.0 111.832 -177.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -72.6 -53.98 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.963 0.411 . . . . 0.0 111.567 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.607 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 34.7 t80 -87.61 -17.63 31.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -173.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.508 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.93 -56.12 0.9 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.512 -0.851 . . . . 0.0 114.102 -174.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -103.67 -71.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -168.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 55' ' ' GLU . 1.6 pp -142.82 -172.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -166.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.58 157.73 31.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.03 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.441 ' HB3' ' OH ' ' A' ' 90' ' ' TYR . 44.7 tp -58.24 -29.39 65.71 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -177.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.78 -48.13 78.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.604 0.24 . . . . 0.0 111.322 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' A' ' 51' ' ' ILE . 16.9 tp10 -66.71 -46.48 75.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 0.0 110.871 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -9.71 58.13 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.737 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.462 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 39.4 ttmt -88.52 -40.76 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 82.2 mm-40 -67.11 -27.39 67.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.256 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.9 m -100.38 -62.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.788 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 27.0 m-85 -106.03 15.18 26.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -174.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -63.38 -21.88 64.92 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 114.905 0.722 . . . . 0.0 114.905 -167.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 55.18 -97.05 0.07 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -176.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.497 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m -129.55 141.82 50.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 166.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.47 -49.7 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.319 0.387 . . . . 0.0 110.969 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.56 -39.47 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.01 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -69.51 -49.48 54.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.92 -41.62 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.402 . . . . 0.0 110.193 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.46 -18.57 62.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.625 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -70.07 -29.53 66.55 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.788 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.465 ' CH2' HD11 ' A' ' 62' ' ' LEU . 47.6 m0 -66.35 -45.87 78.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.7 t -66.0 -30.8 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.169 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -67.3 -33.85 76.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.81 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.292 0.568 . . . . 0.0 110.267 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 40' ' ' ILE . 96.0 mt -90.61 -2.57 57.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.842 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.72 84.01 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.131 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.689 ' HB3' ' HD3' ' A' ' 79' ' ' LYS . 38.6 mt-10 55.4 24.27 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.146 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 11.3 m170 -69.41 -23.52 63.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 174.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.26 -13.17 70.13 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.273 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.689 ' HD3' ' HB3' ' A' ' 76' ' ' GLU . 36.4 mtpt -97.15 -73.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.226 0.536 . . . . 0.0 110.371 178.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -132.5 -30.56 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.098 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 77' ' ' HIS . . . 74.93 0.09 3.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.48 0.712 . . . . 0.0 112.264 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -117.93 156.82 27.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 67.81 -4.17 1.03 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.53 106.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 16' ' ' PRO . 24.2 p -55.2 -63.46 1.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.776 -171.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -34.83 61.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.35 -51.91 7.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -173.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 63.1 tttm -63.58 -36.18 82.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.23 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.607 ' HG3' ' HE1' ' A' ' 48' ' ' TYR . 29.0 mmtp -73.56 -35.21 65.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.322 -178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 53' ' ' LEU . 37.0 t80 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -80.87 -30.71 35.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.439 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 19.4 tp60 -67.61 -33.85 75.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.089 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.535 178.35 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.699 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.3 p -111.81 123.27 49.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.345 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.78 153.79 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.0 m -102.5 108.71 20.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' ASP . 90.7 mt -72.47 161.38 79.39 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.85 11.4 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.128 2.552 . . . . 0.0 113.143 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 15' ' ' LEU . 39.6 m-20 -99.4 -7.78 25.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 109.474 174.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.43 15.42 68.78 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -104.48 150.58 24.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.753 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 pt -100.17 130.13 49.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.433 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 17.4 ttm -126.06 119.57 27.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.921 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 4.4 m -89.85 154.92 19.51 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -69.34 -8.29 44.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.066 0.46 . . . . 0.0 110.518 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.61 -10.45 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.778 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -88.06 -13.47 41.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 109.795 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.77 148.19 47.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.471 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.629 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 76.3 Cg_exo -47.67 109.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.244 2.629 . . . . 0.0 111.075 166.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.72 -38.17 90.38 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.638 2.225 . . . . 0.0 112.42 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -176.93 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.067 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -129.34 87.44 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.258 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.629 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 5.6 m -67.05 125.55 26.37 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 169.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -73.43 -26.03 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.562 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -135.43 106.75 6.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.968 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.401 ' CE3' ' HG2' ' A' ' 39' ' ' LYS . 82.3 m95 -87.92 132.83 34.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 38' ' ' ARG . 18.3 m -119.67 157.24 21.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.43 80.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.0 m -59.27 -31.84 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 111.516 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.4 ttt180 -77.62 -28.68 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.314 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 70' ' ' TRP . 82.8 mttt -74.53 -39.7 62.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 109.85 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.601 HG23 HD22 ' A' ' 74' ' ' LEU . 75.8 mt -58.43 -38.58 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.115 173.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' HB2' ' HE2' ' A' ' 21' ' ' MET . . . -63.34 -36.25 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.018 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.578 ' O ' HG21 ' A' ' 46' ' ' VAL . 19.5 t -61.35 -56.54 17.15 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.923 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -40.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -72.11 -37.69 69.46 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.303 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.72 -48.82 59.48 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.409 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.664 HG23 HG13 ' A' ' 47' ' ' ILE . 24.4 m -68.7 -56.46 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 O-C-N 122.721 -0.282 . . . . 0.0 111.662 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.664 HG13 HG23 ' A' ' 46' ' ' VAL . 81.2 mt -70.02 -44.36 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.33 0.394 . . . . 0.0 111.912 -170.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -85.27 -29.96 24.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.028 0.442 . . . . 0.0 111.115 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -60.75 0.81 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.328 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.14 -76.25 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -165.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.506 HD11 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.15 171.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.2 0.524 . . . . 0.0 112.349 -166.232 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -69.38 165.0 21.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.732 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.93 -33.59 73.4 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.893 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.502 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.67 -45.54 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.83 -9.65 58.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.855 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -89.36 -36.39 15.54 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 30.0 mm-40 -65.42 -43.0 91.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.251 0.548 . . . . 0.0 110.01 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -92.18 -54.25 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.447 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.458 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 74.4 m-85 -105.69 16.51 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -171.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.14 -21.21 69.8 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.15 -173.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 45.44 -96.47 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.44 0.696 . . . . 0.0 111.34 -177.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -140.5 144.45 36.0 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.13 -48.34 44.81 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.458 0.474 . . . . 0.0 111.578 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.683 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.15 -44.82 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.44 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.668 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -66.14 -32.54 74.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.442 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -60.28 -40.21 89.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.859 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.496 ' CE2' ' HB3' ' A' ' 39' ' ' LYS . 38.1 m0 -63.95 -51.41 64.51 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-O 121.134 0.492 . . . . 0.0 110.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.08 -43.23 98.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.997 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.0 m -65.76 -30.41 71.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.55 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 109.921 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -79.49 -19.77 48.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.814 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -75.04 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.509 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 74.86 -38.59 0.39 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.883 0.739 . . . . 0.0 110.204 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' A' ' 75' ' ' ALA . 79.9 m-70 -129.56 122.48 29.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 171.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.92 55.86 3.89 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.028 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.53 -51.46 0.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.136 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.7 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.614 -174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . . . 70.05 -9.93 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.404 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.7 tp -76.28 -13.8 60.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.39 0.614 . . . . 0.0 110.32 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.96 -20.03 56.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.686 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.82 119.75 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.208 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 m -53.75 -38.23 64.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 111.924 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.34 55.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.601 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -87.83 -39.9 14.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.38 -38.45 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.743 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 18.8 mmtp -71.52 -34.3 69.95 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 176.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -66.82 -16.57 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 110.366 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -94.84 -49.44 5.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.2 -33.68 76.36 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 -177.833 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 121.524 0.678 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -121.07 144.02 48.77 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.979 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG13 ' HA2' ' A' ' 49' ' ' GLY . 9.3 m -105.41 131.08 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.063 0.459 . . . . 0.0 111.022 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -92.53 111.36 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -84.34 156.59 62.7 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.71 -4.39 7.04 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.899 2.399 . . . . 0.0 112.494 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.03 -20.22 42.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.102 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.72 -21.62 41.61 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -80.6 134.35 35.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.417 -0.391 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 pt -95.85 133.95 35.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.228 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.4 mmm -106.4 135.32 48.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.978 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.33 162.88 26.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.861 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.32 -11.95 46.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.9 -9.89 35.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.314 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.48 -11.29 29.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.044 0.449 . . . . 0.0 111.058 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD11 HD12 ' A' ' 50' ' ' LEU . 48.3 mt -68.69 139.95 91.6 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.941 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.547 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 25.9 Cg_exo -64.36 115.3 3.1 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 111.536 170.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.543 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 7.2 Cg_exo -73.74 64.37 4.84 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 123.157 2.571 . . . . 0.0 112.132 -178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.13 -54.05 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.757 0.823 . . . . 0.0 111.9 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.552 ' O ' HG23 ' A' ' 31' ' ' THR . 13.2 p30 -98.14 -42.6 7.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER 62.03 -2.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.184 0.994 . . . . 0.0 112.567 177.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 30' ' ' ASN . 25.0 mtp85 73.19 -34.47 0.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.463 1.105 . . . . 0.0 112.419 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -154.1 113.48 3.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -86.36 126.32 34.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.752 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.2 m -122.12 172.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 170.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.29 78.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.583 0.23 . . . . 0.0 111.463 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.1 p -65.48 -29.18 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.601 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.57 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.6 mmt180 -61.55 -44.05 97.75 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 91.6 mttt -67.24 -48.06 68.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 HG22 HD23 ' A' ' 74' ' ' LEU . 45.8 mm -62.33 -28.08 43.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.7 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.38 -29.35 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.184 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 38' ' ' ARG . 10.5 t -69.85 -52.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -54.05 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.415 ' CZ ' HG23 ' A' ' 40' ' ' ILE . 72.8 mtm180 -66.83 -31.05 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.006 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.39 -44.26 90.82 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.56 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.421 HG23 HG13 ' A' ' 47' ' ' ILE . 27.4 m -80.91 -47.76 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 HG13 HG23 ' A' ' 46' ' ' VAL . 83.0 mt -68.11 -37.31 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -173.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -93.53 -32.39 14.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.499 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -101.48 -55.89 0.88 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.935 -170.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.424 HD12 HD11 ' A' ' 26' ' ' LEU . 90.9 mt -105.31 -76.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -164.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 55' ' ' GLU . 1.7 pp -143.51 -175.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -165.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 p -83.56 177.9 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.241 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.484 ' HG ' ' HE2' ' A' ' 57' ' ' LYS . 57.3 tp -61.54 -29.74 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.609 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.28 -55.53 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.759 0.314 . . . . 0.0 111.408 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.487 ' HB3' HD12 ' A' ' 51' ' ' ILE . 25.5 tp10 -65.22 -42.28 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.129 0.49 . . . . 0.0 110.17 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.5 -27.47 67.62 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.947 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.649 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 41.7 mtmt -83.56 -33.06 25.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.654 -0.819 . . . . 0.0 111.37 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.39 -39.72 92.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.889 0.376 . . . . 0.0 110.804 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.7 m -96.9 -53.53 3.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.591 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.6 m-85 -106.1 16.68 24.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.36 -171.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.649 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -62.17 -23.99 64.73 Favored Glycine 0 C--O 1.227 -0.343 0 CA-C-O 118.483 -1.176 . . . . 0.0 115.93 -166.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 32.05 -95.63 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.389 0.676 . . . . 0.0 112.382 -176.085 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 m -127.33 131.6 50.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.59 -42.46 88.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.954 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 2.9 mp0 -53.3 -44.27 68.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.232 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.58 -51.32 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.443 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -57.85 -44.65 86.68 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.741 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -65.41 -29.55 70.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.3 m -65.14 -37.03 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.612 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.45 ' HH2' HD21 ' A' ' 62' ' ' LEU . 32.7 m0 -64.5 -51.14 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.962 0.41 . . . . 0.0 109.923 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.0 -39.3 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.3 m -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.71 -29.52 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.232 0.539 . . . . 0.0 110.517 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.463 HD23 HG22 ' A' ' 40' ' ' ILE . 92.5 mt -81.91 -6.56 59.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.772 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.41 -8.69 57.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.05 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.73 -58.67 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.477 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -154.56 131.28 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.427 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.24 24.4 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.741 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 179.93 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.894 0.378 . . . . 0.0 110.529 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -131.64 -57.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.703 -173.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 76.66 -18.57 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.658 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.36 -34.13 15.8 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.03 0.443 . . . . 0.0 110.527 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -83.61 9.65 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.45 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -68.29 117.42 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -54.27 -45.16 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.419 0.449 . . . . 0.0 112.122 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.88 66.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.869 0.366 . . . . 0.0 111.952 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -83.22 -47.17 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.72 -40.09 82.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.044 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.44 -46.91 84.13 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.317 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -56.14 -43.98 78.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.787 0.327 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -73.33 -43.62 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 111.52 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.36 -32.57 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 111.009 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.6 -179.627 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 4.9 mmp_? . . . . . 0 CA--C 1.513 -0.472 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.529 ' HB3' HG21 ' A' ' 22' ' ' THR . 4.0 p -99.65 174.14 6.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.71 -171.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.524 HG11 ' HA2' ' A' ' 49' ' ' GLY . 1.3 m -129.16 119.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.148 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.3 m -84.07 136.95 33.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.447 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.576 HD12 ' HE ' ' A' ' 44' ' ' ARG . 82.1 mt -94.96 153.12 39.94 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.126 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.13 -22.0 30.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.043 2.495 . . . . 0.0 112.347 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.95 -30.35 67.83 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -13.47 26.76 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.388 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -90.51 139.81 30.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.912 0.387 . . . . 0.0 110.672 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 pt -99.38 153.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.056 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.538 ' HG3' ' HB2' ' A' ' 25' ' ' ASP . 33.6 ttm -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.929 0.395 . . . . 0.0 111.09 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.529 HG21 ' HB3' ' A' ' 12' ' ' SER . 67.0 p -103.4 -179.86 4.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.258 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -69.79 -18.78 63.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.805 173.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.26 -28.07 42.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.538 ' HB2' ' HG3' ' A' ' 21' ' ' MET . 22.2 m-20 -76.68 -18.86 58.31 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.301 0.572 . . . . 0.0 109.915 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD22 ' HA3' ' A' ' 45' ' ' GLY . 96.1 mt -84.5 137.77 38.86 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.344 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.762 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 66.4 Cg_exo -44.08 122.75 3.76 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 123.856 3.038 . . . . 0.0 111.992 171.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.47 -53.75 3.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.958 2.438 . . . . 0.0 112.383 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.66 -53.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.046 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -82.39 -56.45 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.688 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.762 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.9 m 63.08 89.02 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.664 0.603 . . . . 0.0 110.408 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -84.37 21.64 1.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.926 -171.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG3' HG13 ' A' ' 35' ' ' VAL . 29.3 tpt180 -163.46 89.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.859 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -83.85 90.0 7.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.303 0.573 . . . . 0.0 110.911 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.527 HG13 ' HG3' ' A' ' 33' ' ' ARG . 34.0 m -94.17 167.11 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.11 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -55.51 -45.03 77.13 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.478 0.486 . . . . 0.0 111.381 -176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -58.67 -41.64 86.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.256 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.68 ' O ' HG22 ' A' ' 42' ' ' VAL . 70.4 mtt-85 -73.2 -33.86 65.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.502 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 58.4 mtpt -58.57 -55.18 38.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.179 0.514 . . . . 0.0 110.032 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.613 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 57.5 mt -62.83 -37.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.312 177.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.13 79.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.356 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 38' ' ' ARG . 34.5 t -63.77 -54.3 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.223 -0.191 . . . . 0.0 110.844 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.95 -45.58 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.258 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.632 ' HD3' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -73.61 -28.35 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.485 177.494 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.632 ' N ' ' HD3' ' A' ' 44' ' ' ARG . . . -72.48 -39.56 56.34 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.382 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.486 HG21 ' N ' ' A' ' 47' ' ' ILE . 33.4 m -83.53 -54.64 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.673 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG22 ' HB2' ' A' ' 90' ' ' TYR . 78.9 mt -64.77 -51.29 69.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -87.85 -19.67 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.138 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.524 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -102.26 -75.12 1.08 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 114.774 -172.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.18 -75.81 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -161.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -123.38 174.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.096 0.474 . . . . 0.0 112.205 -167.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -78.0 167.66 21.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.68 -32.37 73.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.667 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.22 85.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.372 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.531 ' OE1' ' HB ' ' A' ' 51' ' ' ILE . 28.7 mt-10 -69.77 -40.67 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.547 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.1 -9.04 58.36 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.56 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 27.7 ttpp -94.99 -39.32 10.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.129 0.49 . . . . 0.0 110.294 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.29 -19.54 58.18 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.384 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -100.57 -66.36 0.91 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 90.8 m-85 -101.64 15.7 28.09 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -176.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -71.99 -14.72 76.13 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.574 -170.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 54.85 -92.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.037 0.492 . . . . 0.0 109.954 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 66' ' ' GLU . 2.1 m -127.42 142.18 51.49 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.02 -61.3 1.94 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.22 -29.29 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.717 0.294 . . . . 0.0 111.215 -177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 28.7 tt0 -58.2 -47.11 84.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.527 175.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.04 -42.04 63.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.04 -26.49 67.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.073 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 t -63.99 -32.77 74.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -71.52 -43.24 66.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.95 -41.81 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.674 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 p -69.33 -24.7 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.628 0.251 . . . . 0.0 111.129 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.65 -33.33 64.44 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.17 -14.3 53.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.868 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' HA ' HG11 ' A' ' 84' ' ' VAL . . . -78.92 -22.89 45.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.495 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 69.96 -66.98 0.25 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 124.162 0.913 . . . . 0.0 110.916 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.67 -20.22 20.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -176.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.5 -79.39 1.56 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.692 173.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 81' ' ' ALA . 85.0 tttt -69.08 -24.34 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.109 0.48 . . . . 0.0 111.095 -173.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.4 m-20 -78.52 32.62 0.19 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.392 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.503 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -60.72 -17.32 47.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.774 -175.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.95 -23.29 61.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.173 0.511 . . . . 0.0 110.538 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -107.44 -3.28 19.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.243 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.4 t -76.27 124.77 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.297 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.449 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 7.1 m -49.34 -57.42 6.9 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.63 0.581 . . . . 0.0 112.219 -175.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.31 74.82 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 2.1 tm? -84.79 -40.07 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -174.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -59.35 -37.02 76.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.143 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 85' ' ' THR . 71.2 mmtt -64.69 -47.14 79.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.577 ' HB2' HG22 ' A' ' 47' ' ' ILE . 71.1 t80 -61.08 -49.28 77.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.448 -177.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.187 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -64.83 -39.43 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.271 0.557 . . . . 0.0 109.738 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.869 178.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' THR . 2.7 mpp_? . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.43 ' HB3' HG23 ' A' ' 22' ' ' THR . 55.8 p -118.86 113.13 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.98 136.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.459 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.5 m -97.97 107.5 19.99 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.491 HD12 ' SD ' ' A' ' 21' ' ' MET . 76.9 mt -71.19 158.62 87.7 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.433 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.28 -3.22 9.54 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.8 2.333 . . . . 0.0 110.616 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.94 -41.29 74.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.096 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.17 -30.29 6.61 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 m -79.8 145.8 32.62 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.126 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 pt -100.39 148.19 7.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.148 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.491 ' SD ' HD12 ' A' ' 15' ' ' LEU . 83.3 mtp -127.81 121.26 29.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 12' ' ' SER . 71.8 p -103.98 -178.24 3.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.844 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 3.1 tmt_? -60.54 -24.85 65.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.637 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.64 -10.53 24.89 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.38 -33.02 60.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.662 0.268 . . . . 0.0 111.243 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 pp -86.3 158.07 55.48 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.631 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.449 ' CB ' ' HB ' ' A' ' 31' ' ' THR . 38.2 Cg_endo -83.22 107.06 1.43 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.894 2.396 . . . . 0.0 111.877 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.808 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 6.0 Cg_exo -78.48 63.25 8.41 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.483 2.789 . . . . 0.0 112.051 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.98 -54.52 0.66 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.728 0.811 . . . . 0.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -95.54 75.06 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.566 0.698 . . . . 0.0 109.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.449 ' HB ' ' CB ' ' A' ' 27' ' ' PRO . 13.1 t -91.71 177.95 6.06 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.988 171.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.62 -47.25 19.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.838 0.351 . . . . 0.0 110.454 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -148.02 128.52 14.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.756 0.312 . . . . 0.0 110.671 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.97 71.87 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.629 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.3 m -77.75 163.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.061 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . . . -56.02 -40.29 73.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 0.0 111.218 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.3 m -58.71 -39.17 80.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.438 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.671 ' O ' HG22 ' A' ' 42' ' ' VAL . 90.1 mtt-85 -76.37 -34.11 58.91 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.889 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HD2' ' HA ' ' A' ' 36' ' ' ALA . 67.0 mttm -57.75 -50.29 73.73 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.368 0.604 . . . . 0.0 110.002 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.29 -36.31 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.659 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.43 80.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.291 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 38' ' ' ARG . 36.1 t -61.93 -55.73 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -32.62 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.909 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.24 -53.22 52.46 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.112 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.22 -41.73 94.63 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.506 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 HG13 ' A' ' 47' ' ' ILE . 27.9 m -71.68 -57.04 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 117.346 0.573 . . . . 0.0 111.218 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.571 HG13 HG21 ' A' ' 46' ' ' VAL . 67.9 mt -67.9 -56.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 111.612 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -77.93 -26.61 49.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.327 -174.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.21 -65.17 0.81 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.304 -0.95 . . . . 0.0 114.873 -170.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.68 -74.18 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -162.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.625 HD11 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -125.48 177.26 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.415 0.626 . . . . 0.0 112.627 -163.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 p -82.74 173.19 12.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.26 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.83 -26.57 68.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.38 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.71 80.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.244 0.545 . . . . 0.0 110.853 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HB2' HG13 ' A' ' 51' ' ' ILE . 16.9 mm-40 -68.12 -45.97 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.28 -12.31 61.5 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.073 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.423 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.7 ttpp -88.81 -40.15 13.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.083 0.468 . . . . 0.0 109.803 176.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.6 -46.29 88.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.646 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -92.78 -51.04 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.808 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 52.0 m-85 -105.8 16.09 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.98 -30.45 77.05 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.962 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 44.52 -96.02 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.214 0.606 . . . . 0.0 111.32 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -134.05 144.44 48.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -62.81 -34.09 76.58 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.76 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -60.79 -48.31 82.38 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.419 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -60.06 -51.9 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.739 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.25 -42.45 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.827 0.346 . . . . 0.0 110.828 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -64.2 -33.34 75.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.9 p -62.33 -34.58 76.91 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.305 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -67.77 -53.59 25.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 109.923 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.35 -44.39 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.507 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.1 p -69.1 -31.03 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.276 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.61 -27.5 62.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.24 -27.96 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.924 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -89.62 -25.59 21.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.003 -177.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 71.88 -11.42 0.76 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.202 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.465 ' H ' ' C ' ' A' ' 75' ' ' ALA . 62.0 m-70 -135.86 117.01 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.59 60.14 0.68 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.625 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.482 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 22.6 mtmt -127.04 -67.03 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.577 0.703 . . . . 0.0 110.052 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.7 m-20 -62.08 -29.27 70.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.58 -175.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.03 -31.51 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.131 0.972 . . . . 0.0 110.527 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 80' ' ' ASP . 95.4 mt -86.24 -11.92 51.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.849 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -101.39 10.14 40.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.151 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 60.0 t -86.56 113.7 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -43.56 -58.23 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -20.22 60.28 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.5 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -89.34 -42.11 11.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -174.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -60.15 -39.46 86.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -72.01 -36.39 69.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.652 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.65 -13.81 62.41 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.441 0.639 . . . . 0.0 110.327 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -97.38 -51.1 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.94 -32.27 71.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.94 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.128 -178.395 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' A' ' 11' ' ' ARG . 12.7 tpt180 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.465 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 22.8 m -113.26 152.84 29.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -101.86 138.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.637 173.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -101.45 117.74 35.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD13 ' HD3' ' A' ' 44' ' ' ARG . 64.5 mt -80.31 144.96 58.86 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.829 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.21 -7.16 11.29 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.011 2.474 . . . . 0.0 112.682 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -20.34 50.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.227 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.61 53.68 1.3 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.646 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t -157.16 147.33 20.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 pt -111.67 143.04 22.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 0.0 111.046 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mtp -135.3 143.6 46.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.97 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.465 ' HB ' ' OG ' ' A' ' 12' ' ' SER . 8.8 t -142.54 -177.31 5.22 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -62.57 -5.47 2.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.23 -13.22 26.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.989 0.423 . . . . 0.0 110.897 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -99.18 -0.03 42.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -82.96 139.44 42.86 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.202 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HG2' HG22 ' A' ' 42' ' ' VAL . 85.5 Cg_exo -51.28 116.24 2.56 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.057 2.505 . . . . 0.0 111.816 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 24.6 Cg_exo -65.92 73.49 0.33 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.419 2.746 . . . . 0.0 113.175 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.8 -72.34 0.07 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.836 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.685 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.823 HG23 ' H ' ' A' ' 32' ' ' ARG . 2.6 m 62.52 -166.71 0.22 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.823 ' H ' HG23 ' A' ' 31' ' ' THR . 64.7 mmt-85 -118.96 -62.03 1.57 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 33' ' ' ARG . 52.5 mtt180 -123.55 130.87 53.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.929 175.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -92.23 83.58 5.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.87 157.23 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.811 176.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.16 -46.02 68.71 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.3 0.375 . . . . 0.0 111.446 -175.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -61.73 -33.7 74.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.065 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' O ' HG21 ' A' ' 42' ' ' VAL . 20.0 ttm180 -79.06 -32.06 44.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.918 -177.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 22.0 mtpp -63.4 -50.35 70.2 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 74' ' ' LEU . 74.1 mt -61.6 -33.12 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.273 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.93 70.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.098 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 38' ' ' ARG . 12.5 t -69.33 -51.16 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -36.92 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.444 178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.506 ' HD3' HD13 ' A' ' 15' ' ' LEU . 72.7 mtt-85 -66.28 -47.46 73.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.608 175.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.22 94.18 Favored Glycine 0 C--O 1.229 -0.217 0 CA-C-N 115.615 -0.72 . . . . 0.0 113.634 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 42' ' ' VAL . 25.0 m -81.05 -61.28 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 117.39 0.595 . . . . 0.0 111.131 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.521 HG13 HG22 ' A' ' 46' ' ' VAL . 80.2 mt -60.82 -51.4 73.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -171.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -90.01 -20.25 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 110.469 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.84 -74.33 1.08 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.294 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -105.4 -76.43 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -163.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.489 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -129.62 174.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.24 0.543 . . . . 0.0 112.151 -166.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -79.64 167.38 20.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 53.2 tp -62.14 -27.37 68.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.271 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -57.93 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.421 ' HB3' HG13 ' A' ' 51' ' ' ILE . 45.0 tt0 -61.04 -38.15 85.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -62.49 -40.03 95.36 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.138 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 96.4 mttt -57.86 -50.04 74.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 118.368 0.531 . . . . 0.0 111.008 177.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -58.17 -42.71 86.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.287 -175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.4 m -101.33 -51.79 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.64 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.2 m-85 -105.9 17.35 23.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -171.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.472 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -57.16 -23.54 47.59 Favored Glycine 0 C--O 1.227 -0.322 0 N-CA-C 115.533 0.973 . . . . 0.0 115.533 -169.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 40.34 -92.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.648 0.779 . . . . 0.0 112.272 -175.112 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -147.36 147.06 29.92 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -58.47 -50.68 72.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.02 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 53' ' ' LEU . 48.5 t80 -63.32 -39.77 95.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.69 -38.66 85.72 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.397 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -63.77 -32.14 73.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.545 0.212 . . . . 0.0 110.889 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.447 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 29.7 m0 -70.35 -49.43 49.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.97 -35.76 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.658 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -62.89 -34.91 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.181 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.105 0.478 . . . . 0.0 110.364 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD11 HG23 ' A' ' 40' ' ' ILE . 97.0 mt -75.43 -32.53 60.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.817 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.85 5.38 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 53.35 54.47 10.13 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.775 0.672 . . . . 0.0 110.547 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 71.8 10.71 6.3 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.212 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 53.94 2.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -64.47 -26.21 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 111.437 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -161.54 -41.43 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.537 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 65.4 12.73 8.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.605 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.5 mt -120.28 -28.34 5.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -97.27 -14.22 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.948 0.404 . . . . 0.0 110.278 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.77 117.39 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.345 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.3 m -48.12 -56.16 8.51 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -173.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.11 70.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -44.94 10.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -174.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -56.15 -42.28 76.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.044 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.62 -48.09 56.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.35 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -65.77 -21.21 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 91' ' ' ARG . 41.5 ttt-85 -92.26 -45.06 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.877 0.37 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.47 -34.28 60.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.545 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.6 tp . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.993 0.425 . . . . 0.0 111.354 -176.507 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 121.647 0.736 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -134.41 146.26 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.174 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG13 ' HA2' ' A' ' 49' ' ' GLY . 24.0 m -111.72 151.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.791 0.329 . . . . 0.0 111.299 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -109.73 118.31 36.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.821 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 ' HD3' ' A' ' 44' ' ' ARG . 43.8 mt -81.96 151.95 67.91 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.042 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.61 -0.46 3.75 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.769 2.313 . . . . 0.0 111.566 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -76.27 -22.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.002 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.8 -7.73 61.14 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.518 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -103.3 151.91 22.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 pt -99.12 164.98 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.258 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -134.31 129.62 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.25 0.548 . . . . 0.0 109.969 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.79 175.01 10.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.108 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -74.33 57.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 111.015 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 -38.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.375 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.73 13.37 20.38 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.932 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -90.82 114.55 61.79 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.843 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 69.1 Cg_exo -46.13 113.03 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.675 2.917 . . . . 0.0 112.73 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 4.8 Cg_exo -75.69 56.81 4.77 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.517 2.811 . . . . 0.0 112.797 -176.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 72.85 -58.89 0.58 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.721 0.809 . . . . 0.0 112.117 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -76.64 -65.81 0.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.458 -179.16 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 3.8 m 60.51 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.769 0.668 . . . . 0.0 111.667 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 34.9 ptt85 -66.85 110.37 3.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.018 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 68.67 91.06 0.09 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.437 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.443 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 41.3 m95 -70.47 92.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.607 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 m -83.36 165.63 2.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.01 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.332 0.395 . . . . 0.0 111.119 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 t -59.87 -36.29 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.787 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.768 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -72.33 -47.13 52.1 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 178.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.02 -51.18 70.74 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.313 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.13 -34.72 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.89 76.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.644 HG21 ' O ' ' A' ' 38' ' ' ARG . 24.1 t -65.11 -58.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.658 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -42.06 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.486 ' HD3' HD12 ' A' ' 15' ' ' LEU . 99.6 mtt180 -68.99 -42.71 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.72 0.295 . . . . 0.0 110.7 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' O ' ' HA3' ' A' ' 49' ' ' GLY . . . -69.28 -35.59 77.16 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.648 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.56 HG21 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -85.02 -55.99 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 117.6 0.7 . . . . 0.0 111.4 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.431 ' N ' HG23 ' A' ' 46' ' ' VAL . 76.7 mt -62.72 -48.77 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 123.351 0.407 . . . . 0.0 111.88 -172.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -97.28 -9.19 28.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.314 0.578 . . . . 0.0 110.231 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.517 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -101.44 -75.74 1.15 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.456 -0.878 . . . . 0.0 114.34 -173.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.32 -75.54 0.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -165.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.82 -179.27 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.759 -166.356 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.1 p -77.5 168.55 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.606 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 45.3 tp -66.73 -35.83 81.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.795 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 58' ' ' GLN . . . -60.36 -40.25 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.662 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -64.95 -46.16 82.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.32 0.581 . . . . 0.0 110.1 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.35 -2.5 25.48 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.216 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.843 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 55.9 mtpt -93.91 -36.71 12.07 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 54' ' ' ALA . 76.5 mt-30 -59.84 -41.46 91.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -100.27 -51.91 3.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.741 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m-85 -107.62 19.12 20.6 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.274 -0.393 . . . . 0.0 111.88 -169.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.843 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -35.86 -34.75 0.08 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 116.643 1.417 . . . . 0.0 116.643 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 2.9 mt 58.94 -149.76 0.45 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 117.336 0.568 . . . . 0.0 110.446 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 m -111.38 148.8 32.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.199 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.56 -51.52 62.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.511 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.86 -39.82 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.317 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.49 -53.99 49.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.531 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 58.5 t80 -64.38 -36.75 85.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.956 0.408 . . . . 0.0 110.129 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.21 -42.47 91.03 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.953 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.7 p -63.19 -37.74 88.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.261 -175.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.407 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 34.7 m0 -63.94 -54.89 27.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.118 0.485 . . . . 0.0 110.573 -176.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -66.24 -38.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.137 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.8 m -67.12 -31.69 72.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.628 0.251 . . . . 0.0 111.266 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.61 60.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 109.924 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 96.7 mt -77.04 -23.15 52.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.687 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.509 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 73.36 -43.37 0.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 110.569 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.427 ' H ' ' C ' ' A' ' 75' ' ' ALA . 3.3 p-80 -130.03 118.47 21.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.51 -10.74 79.76 Favored Glycine 0 N--CA 1.454 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB3' ' HZ1' ' A' ' 79' ' ' LYS . 9.5 mtpm? -62.56 -70.21 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.486 0.66 . . . . 0.0 110.727 175.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 83' ' ' LYS . 4.1 m-20 -85.09 60.17 6.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.531 -175.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -23.19 66.12 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.391 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp -87.8 -6.94 57.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.438 0.637 . . . . 0.0 110.197 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 34.6 ttmt -99.98 0.15 40.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 0.0 109.583 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.9 t -82.86 123.43 38.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.635 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 p -50.83 -45.8 59.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.07 84.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.979 0.418 . . . . 0.0 111.843 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -87.35 -40.09 14.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -58.19 -37.14 74.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.569 175.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.21 -50.04 67.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.553 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -61.15 -44.89 96.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -66.19 -39.0 89.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.217 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -80.68 -33.91 35.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.043 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.234 0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.336 -177.804 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 . . . . . 0 N--CA 1.447 -0.602 0 CA-C-O 121.799 0.809 . . . . 0.0 109.084 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 t -114.7 131.28 56.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.262 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.524 HG13 ' HA2' ' A' ' 49' ' ' GLY . 15.9 m -97.69 125.41 50.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -86.9 104.6 16.39 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.65 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 17' ' ' ASP . 66.9 mt -66.05 153.8 91.06 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.739 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.26 41.94 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.254 2.636 . . . . 0.0 111.119 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 15' ' ' LEU . 24.1 t70 -135.45 -43.58 0.69 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.865 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.84 -26.03 4.08 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -80.73 150.46 29.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.404 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -116.46 140.42 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.493 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mmm -124.9 150.63 46.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -157.9 179.33 9.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 23' ' ' ARG . 14.5 ttm-85 -65.61 -25.58 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 110.511 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -18.19 63.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.58 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.65 -12.47 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.179 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.54 HD23 ' HA3' ' A' ' 45' ' ' GLY . 85.4 mt -69.88 122.53 86.26 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.562 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 51.7 Cg_exo -57.35 118.55 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.72 2.28 . . . . 0.0 111.67 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.13 51.02 2.72 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.034 2.49 . . . . 0.0 112.206 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.12 -56.1 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.761 0.824 . . . . 0.0 111.028 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -104.58 53.89 0.73 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.321 0.582 . . . . 0.0 110.57 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.562 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 10.4 t -68.96 165.06 20.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.718 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -92.92 124.43 36.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.485 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.7 mmp_? 61.89 87.11 0.1 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.291 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -69.01 120.85 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.068 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -121.22 160.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.84 -46.06 71.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.886 0.374 . . . . 0.0 111.672 -176.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.8 m -68.46 -25.1 64.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.66 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.1 ttm-85 -75.39 -38.04 60.19 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 21.3 mtpp -59.65 -48.03 83.28 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.704 0.764 . . . . 0.0 109.598 175.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.575 HG22 HD21 ' A' ' 74' ' ' LEU . 84.1 mt -61.7 -37.44 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.886 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.48 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -61.91 -58.46 7.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.462 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -31.82 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.21 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.003 0.43 . . . . 0.0 110.296 173.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.54 ' HA3' HD23 ' A' ' 26' ' ' LEU . . . -71.83 -27.0 71.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.853 -174.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.619 HG23 HG13 ' A' ' 47' ' ' ILE . 16.2 m -82.1 -63.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 117.775 0.787 . . . . 0.0 110.888 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.619 HG13 HG23 ' A' ' 46' ' ' VAL . 71.8 mt -60.96 -50.4 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.647 0.592 . . . . 0.0 112.025 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -97.09 -8.21 30.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.052 0.453 . . . . 0.0 110.229 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.524 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -100.98 -75.83 1.17 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.964 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.82 -76.31 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 pp -118.15 -176.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -165.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 170.09 10.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.979 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.797 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.64 76.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -64.79 -48.41 74.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.814 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.36 68.3 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.177 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 16.3 ttpp -85.43 -42.88 14.1 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.623 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.82 -29.54 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.64 0.257 . . . . 0.0 111.102 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -100.06 -56.69 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 36.7 m-85 -105.54 16.6 25.2 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -173.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -60.97 -26.88 66.18 Favored Glycine 0 C--O 1.228 -0.269 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -170.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 49.68 -90.64 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.453 0.701 . . . . 0.0 110.966 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.5 t -137.42 144.22 42.27 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 174.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.65 -42.45 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.168 0.509 . . . . 0.0 109.795 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.18 -46.48 86.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.858 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -56.96 -54.89 41.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.65 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -63.17 -41.94 99.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.162 -174.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -70.49 -20.56 62.84 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.918 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -71.87 -30.14 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.39 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -69.09 -45.67 69.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.406 HG11 ' HB1' ' A' ' 86' ' ' ALA . 36.1 t -66.2 -39.56 84.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.664 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -61.19 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.36 -28.92 67.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.377 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.575 HD21 HG22 ' A' ' 40' ' ' ILE . 96.1 mt -87.37 -7.21 58.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.418 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.502 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -99.87 -17.15 17.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.041 174.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 72.83 -49.75 0.7 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.23 0.956 . . . . 0.0 111.22 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -127.24 111.0 13.45 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.125 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.91 -103.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp 70.83 -60.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.503 0.721 . . . . 0.0 111.886 172.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -85.24 -37.28 20.24 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.3 -10.29 1.38 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.16 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -100.16 -37.58 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 110.194 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -86.93 20.52 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.15 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 75' ' ' ALA . 92.7 t -60.94 120.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.7 m -48.04 -53.13 17.33 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' HB1' HG11 ' A' ' 71' ' ' VAL . . . -75.07 -19.52 59.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -91.14 -42.67 10.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -175.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.07 -37.97 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.214 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -73.09 -36.47 66.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.705 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -61.03 -45.0 96.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 87' ' ' LEU . 9.6 mmm180 -58.68 -53.48 57.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.032 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 -177.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 . . . . . 0 C--O 1.232 0.138 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -71.81 109.93 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -72.76 129.75 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.406 0.622 . . . . 0.0 111.398 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -98.42 108.26 20.92 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.124 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.95 154.62 88.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.05 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -62.04 -5.9 7.07 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.821 2.347 . . . . 0.0 112.023 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -44.74 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.65 175.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.9 -24.03 5.2 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.055 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 t -80.16 137.15 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 20' ' ' ILE . 2.6 pp -98.76 144.04 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 177.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.486 ' HE3' ' O ' ' A' ' 41' ' ' ALA . 75.6 mtp -124.54 133.4 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -111.22 -179.34 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.519 174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.727 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -81.87 8.26 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.765 0.793 . . . . 0.0 109.446 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.76 -27.64 17.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.786 171.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.25 -36.67 46.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.849 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.12 124.48 86.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.644 -179.634 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 82.4 Cg_exo -50.15 132.85 34.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.14 2.56 . . . . 0.0 113.198 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 76.4 Cg_exo -52.3 -53.95 6.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.092 2.528 . . . . 0.0 112.469 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -48.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.821 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.579 ' O ' HG23 ' A' ' 31' ' ' THR . 28.7 p-10 -128.89 0.68 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.835 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 30' ' ' ASN . 2.7 t 60.21 -53.96 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.2 1.4 . . . . 0.0 112.554 -174.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER 175.88 -61.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 42.7 ttm180 -139.75 2.77 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.468 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.532 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 76.5 m95 64.83 95.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.208 -177.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m -88.31 145.85 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 170.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.99 -48.03 67.77 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.324 0.39 . . . . 0.0 111.752 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -57.68 -33.28 68.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.861 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.653 ' O ' HG21 ' A' ' 42' ' ' VAL . 22.1 ttt180 -85.23 -24.35 27.87 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.924 -176.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HE2' ' HB3' ' A' ' 34' ' ' TRP . 63.0 mttm -60.45 -49.1 78.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.599 0.714 . . . . 0.0 109.249 170.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.52 -34.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.666 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' O ' ' HE3' ' A' ' 21' ' ' MET . . . -67.28 -32.37 73.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.653 HG21 ' O ' ' A' ' 38' ' ' ARG . 23.6 t -64.86 -54.85 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.571 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.425 HG11 ' CZ ' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -59.01 -38.3 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.392 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -69.78 -42.63 73.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.34 97.43 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.241 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.607 HG21 HG13 ' A' ' 47' ' ' ILE . 17.5 m -82.92 -62.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.332 0.566 . . . . 0.0 111.66 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.607 HG13 HG21 ' A' ' 46' ' ' VAL . 69.5 mt -62.93 -35.67 72.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 111.99 -170.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.444 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 40.7 t80 -97.45 -26.73 14.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.329 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -70.93 0.93 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.508 -172.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 mp -105.56 -75.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -166.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 55' ' ' GLU . 29.2 pt -121.52 164.17 18.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -166.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 p -80.82 -178.82 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.513 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.616 ' O ' ' HB2' ' A' ' 57' ' ' LYS . 51.8 tp -75.41 -7.94 55.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.013 0.435 . . . . 0.0 110.304 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 -60.82 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.873 0.368 . . . . 0.0 110.181 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.48 ' HB3' HD11 ' A' ' 51' ' ' ILE . 9.4 tp10 -66.96 -38.36 85.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.275 0.56 . . . . 0.0 109.973 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 53' ' ' LEU . . . -68.5 -13.07 62.07 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.512 178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.649 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 3.4 ttmp? -87.97 -43.3 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.247 0.546 . . . . 0.0 109.643 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.69 -38.51 90.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.94 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 -50.62 3.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.06 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.69 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.2 m-85 -108.24 18.06 21.51 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -171.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.649 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -44.7 -38.75 5.71 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -168.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 51.44 -99.84 0.08 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.573 0.702 . . . . 0.0 109.469 -173.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 m -156.31 146.03 20.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 169.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.21 -36.31 65.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 117.867 0.303 . . . . 0.0 110.785 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.47 -42.67 95.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.772 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.3 -51.48 69.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.054 0.454 . . . . 0.0 109.853 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CZ ' HG11 ' A' ' 43' ' ' VAL . 53.0 t80 -64.16 -46.53 83.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.318 -174.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -70.42 -22.87 62.68 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.209 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.2 m -65.91 -30.47 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.711 0.291 . . . . 0.0 110.495 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.4 ' HE3' HG13 ' A' ' 43' ' ' VAL . 25.3 m0 -68.75 -45.51 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.256 0.551 . . . . 0.0 109.572 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.545 HG11 HD23 ' A' ' 87' ' ' LEU . 45.4 t -68.21 -42.05 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.554 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 m -63.81 -29.37 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.579 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.32 -32.23 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.317 0.58 . . . . 0.0 109.891 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.88 -29.39 55.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.548 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.23 -28.83 61.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.559 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 69.75 -68.25 0.2 Allowed 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.207 0.942 . . . . 0.0 110.653 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -104.52 129.39 52.57 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.45 69.91 2.92 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -141.65 -80.6 0.24 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.85 0.357 . . . . 0.0 110.3 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.41 65.54 7.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.645 0.736 . . . . 0.0 110.719 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -13.65 62.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.481 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 77.4 mt -79.25 -6.13 55.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.579 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -102.0 -10.76 19.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.273 0.559 . . . . 0.0 110.085 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.3 114.26 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.832 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -49.3 -49.12 45.21 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.699 0.624 . . . . 0.0 112.547 -175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.49 -30.73 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.6 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD23 HG11 ' A' ' 71' ' ' VAL . 1.5 tm? -83.02 -45.03 14.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' A' ' 82' ' ' LEU . 87.3 tttt -62.59 -34.15 76.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.522 177.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 48' ' ' TYR . 57.0 tttm -58.1 -58.56 7.88 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.675 176.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.09 -40.8 95.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.754 0.658 . . . . 0.0 111.211 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 91' ' ' ARG . 24.5 ttt85 -67.3 -40.08 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.953 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.6 -15.0 53.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.483 0.658 . . . . 0.0 110.242 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 tp . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 121.245 0.545 . . . . 0.0 110.487 -179.687 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.515 0.674 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 21' ' ' MET . 1.1 m -69.86 104.25 2.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.699 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.58 123.99 42.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.496 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.2 m -76.05 107.96 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.611 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 44' ' ' ARG . 43.1 mt -76.86 141.29 68.01 Favored Pre-proline 0 N--CA 1.445 -0.713 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 34.5 Cg_exo -61.12 -9.0 11.18 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.9 2.4 . . . . 0.0 112.549 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.24 -17.37 59.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.138 0.494 . . . . 0.0 109.884 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.47 46.9 2.07 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.296 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 m -152.17 145.54 24.77 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -107.02 117.37 52.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.193 0.521 . . . . 0.0 110.332 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' SER . 94.6 mmm -93.92 134.84 35.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 p -115.55 173.71 6.39 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.239 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.155 0.503 . . . . 0.0 110.207 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.18 -31.5 30.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.54 -30.7 64.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.728 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD22 ' HA3' ' A' ' 45' ' ' GLY . 93.9 mt -56.62 128.48 75.09 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.309 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.67 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.5 Cg_exo -48.7 110.66 0.36 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.2 2.6 . . . . 0.0 111.538 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.28 -47.99 24.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.06 2.507 . . . . 0.0 112.947 -173.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -178.7 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.5 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.618 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.67 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.6 m 68.82 137.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.952 0.782 . . . . 0.0 111.036 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -87.78 -32.28 19.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.39 . . . . 0.0 110.992 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -138.77 112.26 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.585 0.707 . . . . 0.0 111.08 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.549 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 86.9 m95 -95.11 88.59 5.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.354 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.402 HG22 ' HB2' ' A' ' 38' ' ' ARG . 33.7 m -94.23 171.52 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.893 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.19 95.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.834 0.349 . . . . 0.0 111.056 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 m -66.73 -22.91 66.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.952 0.405 . . . . 0.0 110.775 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.613 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.91 -42.13 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.052 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HE3' ' HB3' ' A' ' 34' ' ' TRP . 1.5 mptm? -52.64 -58.86 5.46 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.885 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.784 HD13 HD23 ' A' ' 74' ' ' LEU . 30.1 mm -58.77 -37.57 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.119 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.84 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 38' ' ' ARG . 40.2 t -70.67 -53.26 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.513 HG13 HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -60.85 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 -176.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.561 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.8 mtt-85 -69.67 -33.17 72.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.665 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.497 ' HA3' HD22 ' A' ' 26' ' ' LEU . . . -65.91 -42.36 94.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.648 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.2 m -85.98 -50.54 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 122.505 -0.409 . . . . 0.0 111.471 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.513 HD13 HG13 ' A' ' 43' ' ' VAL . 25.1 mt -72.54 -48.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -173.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 66.3 t80 -88.4 -16.04 33.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.317 0.579 . . . . 0.0 109.837 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.27 -74.65 1.06 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.446 -0.797 . . . . 0.0 114.434 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 51' ' ' ILE . 9.2 mp -105.95 -75.37 0.63 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -164.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.584 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -127.77 -177.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -162.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.767 HG22 ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -76.85 159.11 30.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.468 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.08 -28.27 68.96 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.136 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.23 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.302 0.572 . . . . 0.0 110.533 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.767 ' HG2' HG22 ' A' ' 52' ' ' THR . 26.2 mm-40 -74.88 -36.14 62.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.598 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -73.85 -6.42 47.0 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.123 177.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 20.7 mtpp -87.51 -45.27 10.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.98 0.419 . . . . 0.0 109.987 173.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -60.8 -37.61 82.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.302 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 m -100.22 -55.64 2.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.521 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.5 m-85 -106.58 16.2 24.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.154 -171.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -56.26 -37.44 73.14 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-O 119.312 -0.715 . . . . 0.0 114.694 -167.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 55.89 -95.25 0.05 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -173.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.511 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.1 p -142.34 146.01 34.53 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 166.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -48.28 -52.23 22.24 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 69' ' ' SER . 7.2 tp10 -64.98 -34.04 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.428 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.05 -53.72 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.7 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.06 -44.52 92.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.0 110.063 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.491 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 3.9 t -68.04 -30.17 69.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -71.29 -45.9 62.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.81 176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.446 HG21 ' CG1' ' A' ' 43' ' ' VAL . 11.3 t -60.54 -45.77 96.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 p -68.15 -26.8 65.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.185 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.31 60.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.229 0.537 . . . . 0.0 109.837 176.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.784 HD23 HD13 ' A' ' 40' ' ' ILE . 70.7 mt -77.54 -21.19 52.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.613 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -44.16 74.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.129 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 69.46 -50.86 0.61 Allowed 'General case' 0 N--CA 1.469 0.513 0 O-C-N 124.253 0.971 . . . . 0.0 111.357 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -84.25 -48.8 9.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.205 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.96 -54.85 3.48 Favored Glycine 0 CA--C 1.52 0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.812 174.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.98 -38.77 83.52 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.609 0.364 . . . . 0.0 111.709 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 82' ' ' LEU . 2.3 m-20 -59.27 -64.93 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.45 -27.28 0.19 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.343 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 80' ' ' ASP . 3.9 pp -104.37 -7.77 19.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -101.03 -9.3 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.61 112.76 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.26 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.4 m -53.24 -36.87 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.79 84.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.053 0.454 . . . . 0.0 111.366 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -89.53 -38.55 13.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.13 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.01 -37.18 81.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.164 176.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -72.82 -42.99 63.24 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.593 ' HE1' ' HA ' ' A' ' 52' ' ' THR . 79.5 t80 -57.8 -54.03 51.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.636 0.585 . . . . 0.0 110.895 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -66.51 -31.97 73.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.034 0.445 . . . . 0.0 110.555 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 92' ' ' GLN . 4.9 tt0 -68.49 -47.18 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 174.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.216 -173.782 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.86 0.362 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -93.72 139.8 30.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.861 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.86 145.46 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 0.0 110.715 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -101.95 118.7 37.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.966 0.412 . . . . 0.0 110.469 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD12 ' HD3' ' A' ' 44' ' ' ARG . 60.4 mt -74.3 152.86 88.11 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.744 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.54 -16.79 31.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.503 2.135 . . . . 0.0 111.75 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.12 -17.69 61.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.743 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.26 3.54 55.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.249 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.1 t -100.11 142.49 31.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 pt -100.17 129.21 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.381 . . . . 0.0 110.179 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.1 mmm -115.53 138.79 50.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.308 0.575 . . . . 0.0 111.49 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.47 169.74 16.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -64.56 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 118.136 0.425 . . . . 0.0 111.165 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.2 -3.66 52.98 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.909 0.385 . . . . 0.0 111.41 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -98.46 -1.6 40.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.285 0.564 . . . . 0.0 109.606 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD23 ' HA3' ' A' ' 45' ' ' GLY . 99.1 mt -92.73 139.4 23.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.718 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.2 Cg_exo -46.67 111.81 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 123.102 2.535 . . . . 0.0 112.299 173.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 3.0 Cg_exo -75.49 62.53 6.27 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 123.302 2.668 . . . . 0.0 113.028 -173.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.16 -59.32 0.48 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.819 0.848 . . . . 0.0 112.07 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -74.31 -67.34 0.63 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.175 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 7.8 m 71.18 138.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.763 0.664 . . . . 0.0 111.135 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -96.68 90.55 5.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.918 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 74.27 106.44 0.07 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -80.68 90.48 5.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.191 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.439 HG22 ' HG2' ' A' ' 38' ' ' ARG . 31.8 m -81.71 168.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.71 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.658 0.265 . . . . 0.0 111.219 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -60.82 -31.51 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.251 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.903 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -71.52 -46.29 60.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.797 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 86.8 mttt -64.67 -51.02 64.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.13 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.26 -33.06 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.355 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 38' ' ' ARG . 7.7 t -67.35 -53.62 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.05 -43.34 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 -178.598 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HD3' HD12 ' A' ' 15' ' ' LEU . 28.5 mtt85 -62.72 -43.71 98.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 176.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 26' ' ' LEU . . . -68.98 -48.63 46.7 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.698 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.1 m -73.35 -49.11 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.402 0.601 . . . . 0.0 111.497 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.593 HG22 ' CD1' ' A' ' 90' ' ' TYR . 40.8 mt -62.25 -46.01 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 123.532 0.52 . . . . 0.0 111.967 -174.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.79 -32.76 13.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.44 -55.93 0.84 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.243 0.857 . . . . 0.0 115.243 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.827 ' HG ' HG13 ' A' ' 51' ' ' ILE . 34.2 tp -94.39 -77.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -159.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.827 HG13 ' HG ' ' A' ' 50' ' ' LEU . 1.8 pp -151.3 179.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.351 0.596 . . . . 0.0 112.508 -169.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.9 p -75.01 165.86 24.59 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.047 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.15 -19.88 65.97 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.804 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.27 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.529 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HB3' HD12 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -69.39 -50.52 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.621 -179.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.32 75.06 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.953 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 34.5 ttpt -68.03 -43.97 77.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.406 0.548 . . . . 0.0 111.099 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.71 -35.22 79.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.768 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.0 m -100.09 -55.99 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.862 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.513 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 19.9 m-85 -105.58 16.49 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -173.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.31 -17.77 64.4 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-O 119.417 -0.657 . . . . 0.0 114.458 -169.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 53.23 -95.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.16 -179.351 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.483 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 23.9 t -151.41 151.44 31.7 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 172.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.708 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 10.4 t70 -48.49 -49.7 34.74 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.469 0.481 . . . . 0.0 110.303 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -50.63 -44.52 57.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.012 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.7 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.73 -36.03 73.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.542 . . . . 0.0 110.737 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.708 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.7 t-20 -56.59 -44.65 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.568 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -65.08 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.528 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.511 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 29.8 m0 -62.35 -51.41 67.72 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 109.894 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 t -69.28 -35.95 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.751 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -62.74 -41.53 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.566 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.16 -27.23 61.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.5 mt -83.16 -26.75 30.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.874 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -77.1 -42.79 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 5.0 mm-40 71.87 -45.96 0.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.98 0.8 . . . . 0.0 112.275 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.558 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 74.7 m-70 -94.03 -77.82 0.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.739 0.304 . . . . 0.0 110.923 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.54 -27.69 19.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.527 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -68.31 -29.21 67.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.558 ' OD1' ' HB2' ' A' ' 77' ' ' HIS . 29.5 p-10 -97.78 36.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.536 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.38 -4.18 10.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.107 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.0 tp -86.61 -15.27 40.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.581 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 35.8 ttpt -105.7 -91.37 0.4 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.646 176.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 31.8 t 43.11 100.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.836 0.855 . . . . 0.0 112.155 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.5 p -48.58 -44.28 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.52 -26.28 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.522 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.2 tm? -90.24 -42.77 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -175.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 86.2 tttt -60.24 -40.52 90.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -66.71 -44.04 82.69 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.355 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.593 ' CD1' HG22 ' A' ' 47' ' ' ILE . 21.9 t80 -56.61 -50.41 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.78 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -62.88 -49.09 76.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -60.04 -40.59 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.503 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 179.712 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.517 0.675 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -107.24 141.74 38.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.362 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -87.57 140.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.279 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -97.09 111.98 23.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.013 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD11 ' HE ' ' A' ' 44' ' ' ARG . 80.3 mt -80.24 159.14 70.96 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 29.6 Cg_endo -63.19 -8.16 13.68 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.934 2.423 . . . . 0.0 113.158 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.27 -16.65 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.179 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.2 -8.65 59.13 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 p -87.49 143.66 27.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 20' ' ' ILE . 2.7 pp -106.03 140.82 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.4 mtp -135.6 137.32 41.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.083 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -97.88 163.56 12.74 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -73.34 54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.888 0.851 . . . . 0.0 110.332 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.94 -32.81 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.744 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.39 -10.09 59.38 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.487 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.07 145.12 97.53 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.055 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.596 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 24.6 Cg_exo -62.31 115.21 2.72 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.488 2.125 . . . . 0.0 111.475 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 6.6 Cg_exo -73.69 73.55 3.5 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.082 2.521 . . . . 0.0 112.276 -176.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.38 -40.15 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.837 0.855 . . . . 0.0 112.086 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 32' ' ' ARG . 20.0 t-20 -152.45 97.79 2.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.328 0.585 . . . . 0.0 109.885 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.596 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 12.6 t -76.95 14.37 0.87 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.062 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' A' ' 30' ' ' ASN . 17.3 ttm180 72.36 -56.51 0.65 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.95 0.9 . . . . 0.0 111.303 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 33' ' ' ARG . 63.4 mtt85 -120.8 105.49 10.78 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.428 0.632 . . . . 0.0 110.482 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.405 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 93.5 m95 -90.12 91.73 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.042 -175.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.2 m -80.37 157.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.057 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -53.75 -47.16 70.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.3 0.375 . . . . 0.0 111.573 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -58.86 -37.09 75.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.522 ' HD3' HG23 ' A' ' 31' ' ' THR . 17.0 ttt180 -81.5 -25.82 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.1 mttt -64.66 -51.05 64.58 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.58 0.705 . . . . 0.0 109.289 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.559 HG23 ' HD2' ' A' ' 44' ' ' ARG . 57.4 mt -56.67 -37.74 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.831 175.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . . . -59.71 -33.84 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.78 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 38' ' ' ARG . 6.7 t -67.72 -50.77 57.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.986 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -64.47 -46.84 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.164 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.559 ' HD2' HG23 ' A' ' 40' ' ' ILE . 2.2 ptm180 -69.21 -32.36 71.57 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.546 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.67 -47.08 63.72 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.31 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 47' ' ' ILE . 27.0 m -75.95 -52.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.692 -177.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.589 HG13 HG23 ' A' ' 46' ' ' VAL . 73.9 mt -71.22 -41.4 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -170.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 54.2 t80 -79.98 -37.16 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.055 0.455 . . . . 0.0 110.692 -177.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.32 -61.9 0.73 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.293 -0.956 . . . . 0.0 115.204 -171.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.67 -75.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -159.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.42 HD11 ' CG ' ' A' ' 55' ' ' GLU . 17.3 pt -124.38 -176.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -161.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.8 p -97.21 178.89 5.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.205 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 41.9 tp -73.21 -20.44 60.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.139 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -59.95 -51.56 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.42 ' CG ' HD11 ' A' ' 51' ' ' ILE . 10.9 tp10 -70.53 -39.12 74.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.931 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -62.3 -19.61 63.47 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.958 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 67.7 mttm -81.99 -45.08 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.146 0.43 . . . . 0.0 110.063 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 65.7 mm-40 -60.22 -40.63 90.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.249 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.2 m -100.96 -49.77 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.013 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.549 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 56.4 m-85 -105.79 18.22 22.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.338 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.81 8.76 1.63 Allowed Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.167 -1.352 . . . . 0.0 115.707 -171.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -6.44 -80.32 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.84 1.256 . . . . 0.0 113.763 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.525 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 12.6 t -129.98 131.57 45.96 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 168.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.16 -44.29 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.352 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -75.2 -31.06 60.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.785 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 22.6 tp10 -57.06 -50.75 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CE1' HD12 ' A' ' 53' ' ' LEU . 25.6 t80 -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.097 0.475 . . . . 0.0 109.772 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.07 -40.52 96.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.882 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 p -68.1 -22.21 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.484 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.495 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.6 m0 -66.93 -53.53 30.95 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.598 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.25 -38.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.33 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.079 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 -24.68 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.665 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 84.7 mt -71.75 -27.16 62.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.393 0.616 . . . . 0.0 109.654 177.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.56 -63.8 1.22 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.5 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 58.76 -81.41 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.296 1.038 . . . . 0.0 112.121 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -130.8 15.96 5.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.012 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 80' ' ' ASP . . . -59.67 -32.08 73.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.137 177.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.9 tttp 72.66 -34.52 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 111.741 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 78' ' ' GLY . 25.8 t0 -80.73 69.1 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.919 0.866 . . . . 0.0 109.448 174.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -95.73 10.64 36.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.903 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.5 mt -95.13 -32.15 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.746 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -112.43 20.64 16.49 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 111.078 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 40.3 t -66.72 122.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.4 p -53.85 -65.02 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.556 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.58 -25.17 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.995 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -82.57 -50.76 8.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -66.28 -31.47 72.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.434 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -66.95 -45.41 77.88 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.829 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -64.25 -45.82 86.47 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.42 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -62.9 -31.7 72.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -79.73 -38.47 33.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.651 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.63 -177.176 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -114.85 155.09 27.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -172.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 m -95.28 133.28 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.181 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -92.77 100.17 12.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.181 0.515 . . . . 0.0 109.696 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.53 HD12 ' HD3' ' A' ' 44' ' ' ARG . 87.5 mt -79.49 158.16 74.06 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.269 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.65 -3.88 3.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.321 2.68 . . . . 0.0 113.572 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -89.03 -2.3 58.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.038 0.447 . . . . 0.0 110.595 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.23 27.49 48.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.062 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -119.41 134.5 55.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.557 0.218 . . . . 0.0 110.585 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.9 103.12 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.479 0.657 . . . . 0.0 109.913 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.1 mtp -104.01 131.31 51.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.589 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -105.5 175.09 5.61 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.2 ttm-85 -58.5 -17.56 22.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.615 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.32 -3.22 55.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.711 0.291 . . . . 0.0 111.654 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.87 -0.05 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.512 . . . . 0.0 110.541 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -98.52 131.52 25.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.293 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.5 Cg_exo -61.74 109.44 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.24 1.96 . . . . 0.0 110.704 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.5 -37.84 96.54 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.82 2.346 . . . . 0.0 112.617 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -174.19 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -135.75 89.22 2.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.693 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.593 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 15.3 t -69.97 161.91 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -38.69 91.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.33 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -145.01 110.78 5.39 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -74.99 87.68 2.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 35.6 m -94.09 172.08 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.385 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.71 73.65 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.349 0.405 . . . . 0.0 111.404 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 m -62.52 -36.0 81.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.854 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -66.51 -47.41 73.04 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.537 177.171 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 27.1 mtpp -55.87 -56.79 16.39 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.433 0.458 . . . . 0.0 111.0 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.15 -39.06 77.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.948 0.404 . . . . 0.0 111.299 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.02 73.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.382 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.681 HG21 ' O ' ' A' ' 38' ' ' ARG . 32.2 t -72.9 -42.08 60.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.556 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.493 HG11 HD13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 109.991 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.53 ' HD3' HD12 ' A' ' 15' ' ' LEU . 4.5 ppt_? -79.49 -5.71 55.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.611 -176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.02 -45.99 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.691 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.8 m -84.46 -43.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.659 177.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.493 HD13 HG11 ' A' ' 43' ' ' VAL . 21.4 mt -64.98 -44.43 96.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.211 -175.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -97.41 -9.42 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.989 0.423 . . . . 0.0 110.24 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.54 -75.04 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.974 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -105.55 -75.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -166.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pp -122.05 -178.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -167.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 p -80.29 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.733 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.9 tp -69.36 -13.67 62.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.88 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -42.15 96.28 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -60.91 -18.72 58.26 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.949 176.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 18.1 ttmt -96.55 -35.19 11.18 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.859 -0.737 . . . . 0.0 110.303 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.73 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.669 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 m -98.92 -54.28 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.507 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 32.6 m-85 -104.51 16.12 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.781 -0.191 . . . . 0.0 110.596 -170.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.677 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -52.29 -38.19 49.08 Favored Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 -170.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 57.44 -82.48 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.592 0.71 . . . . 0.0 109.769 -173.368 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.415 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 35.2 t -158.38 146.75 18.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 172.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.735 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 14.3 t70 -56.46 -42.15 77.72 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.11 -40.19 95.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.77 -62.47 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.561 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -62.07 -35.59 79.1 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 110.29 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.735 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.6 t-20 -60.46 -41.11 93.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.42 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -66.64 -27.39 67.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.952 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.429 ' CZ3' ' HB ' ' A' ' 42' ' ' VAL . 37.0 m0 -64.3 -47.15 80.58 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 109.55 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.427 HG11 HG12 ' A' ' 84' ' ' VAL . 21.8 t -67.4 -37.16 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 t -63.27 -31.47 72.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.661 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.93 -29.67 58.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 110.604 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.21 -5.26 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.348 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HA ' HG13 ' A' ' 84' ' ' VAL . . . -63.25 -51.75 64.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 176.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 63.47 18.69 11.23 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.263 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 30.2 m170 -120.17 -67.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.949 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 80' ' ' ASP . . . 90.38 123.25 2.59 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.195 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 71.4 mmtt 68.15 -38.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.514 0.726 . . . . 0.0 111.566 -172.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 77' ' ' HIS . 15.0 t70 -84.22 77.83 9.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.73 16.11 7.25 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.457 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.74 -36.13 11.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.622 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 49.9 mttm -104.21 25.22 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.763 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.529 HG13 ' HA ' ' A' ' 75' ' ' ALA . 86.5 t -58.02 128.33 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 35.2 p -48.52 -71.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.12 -23.25 66.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -49.97 10.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -69.5 -29.2 66.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HG3' ' O ' ' A' ' 85' ' ' THR . 65.8 mttm -62.73 -52.73 62.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 174.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -64.05 -42.56 97.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.538 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -70.3 -40.38 74.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.262 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -74.74 -33.03 62.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.86 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 -179.038 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 121.346 0.593 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -114.0 118.33 33.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.603 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG11 ' HA2' ' A' ' 49' ' ' GLY . 26.3 m -107.43 147.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.14 0.495 . . . . 0.0 111.475 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -101.33 112.95 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.089 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 16' ' ' PRO . 76.4 mt -80.48 155.89 73.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.338 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 14.4 Cg_endo -59.75 -6.02 4.13 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.379 2.719 . . . . 0.0 114.417 -176.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.82 -12.51 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.064 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.13 10.25 61.26 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -98.98 147.17 25.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.391 -0.404 . . . . 0.0 110.525 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 pt -101.97 129.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.939 0.399 . . . . 0.0 110.277 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.3 mmm -126.68 162.09 26.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.255 0.55 . . . . 0.0 110.864 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -163.91 178.4 7.8 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.002 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HD2' ' HB3' ' A' ' 26' ' ' LEU . 15.0 tpt180 -67.36 -18.96 65.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 111.144 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.4 65.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.489 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -90.8 -14.43 31.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.476 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 HD13 ' HD2' ' A' ' 27' ' ' PRO . 1.1 tm? -59.69 121.69 59.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 173.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.559 ' HG2' HG21 ' A' ' 42' ' ' VAL . 4.8 Cg_exo -33.38 109.48 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 124.276 3.317 . . . . 0.0 114.661 -173.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -73.29 58.35 3.62 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 124.226 3.284 . . . . 0.0 113.018 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.39 -71.65 0.11 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.017 0.527 . . . . 0.0 111.514 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.42 -49.32 50.06 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.426 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.4 m 63.61 99.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 173.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 32' ' ' ARG . 3.8 ttm180 -69.04 110.61 4.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 30.7 mmt180 71.14 101.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.954 0.784 . . . . 0.0 112.485 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.86 102.09 12.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.619 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.9 m -98.8 163.41 2.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.139 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.94 73.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -60.04 -37.21 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.0 mtt180 -77.13 -28.13 54.16 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.618 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' O ' HG21 ' A' ' 43' ' ' VAL . 90.7 mttt -54.22 -54.61 37.59 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.78 0.8 . . . . 0.0 108.914 170.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.492 HG21 HD21 ' A' ' 74' ' ' LEU . 49.0 mt -63.01 -35.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.669 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -65.78 -33.78 76.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.928 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 38' ' ' ARG . 30.2 t -70.32 -55.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -58.68 -43.42 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.791 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.422 ' NE ' HG22 ' A' ' 40' ' ' ILE . 72.3 mtm180 -73.58 -35.03 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.802 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.34 -31.64 77.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.203 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 42' ' ' VAL . 26.9 m -91.84 -54.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.268 -0.548 . . . . 0.0 111.583 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.432 ' N ' HG23 ' A' ' 46' ' ' VAL . 82.3 mt -63.4 -45.06 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 111.795 -174.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -96.25 -16.16 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.344 0.592 . . . . 0.0 110.167 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.536 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.49 -73.57 1.02 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.468 -0.872 . . . . 0.0 114.59 -172.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.7 mt -101.63 -76.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -163.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.37 174.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.994 0.426 . . . . 0.0 111.97 -168.715 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -70.82 165.27 23.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.056 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' HA ' ' HB1' ' A' ' 56' ' ' ALA . 51.2 tp -64.54 -19.87 65.88 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.79 72.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.598 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB3' HG13 ' A' ' 51' ' ' ILE . 34.8 tt0 -81.85 -33.98 30.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.091 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 53' ' ' LEU . . . -65.63 -20.83 66.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 177.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -82.12 -45.36 15.29 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -60.85 -44.23 97.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.1 m -95.24 -52.57 4.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 28.0 m-85 -105.36 15.79 26.67 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -171.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.438 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -71.61 -16.95 76.16 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.343 -174.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 34.6 -100.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.862 0.865 . . . . 0.0 112.326 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 42.9 t -110.86 130.11 55.67 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.1 -43.26 77.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 110.058 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -64.45 -34.07 77.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.723 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 31.4 tt0 -66.7 -51.73 52.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.684 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.51 -38.45 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.066 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.0 -42.85 94.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -63.9 -25.53 68.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.445 -175.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.443 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 50.3 m0 -70.57 -45.59 65.12 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 109.968 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.51 -41.22 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.819 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.3 p -69.21 -27.43 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.751 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.73 61.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.409 0.624 . . . . 0.0 109.955 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD21 HG21 ' A' ' 40' ' ' ILE . 93.6 mt -78.73 -39.98 34.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.121 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.81 69.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.787 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 71.19 -52.92 0.68 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.657 0.783 . . . . 0.0 110.543 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -86.76 93.96 9.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.844 172.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.67 62.88 2.74 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.173 -0.537 . . . . 0.0 111.961 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.554 ' HZ2' ' HB2' ' A' ' 79' ' ' LYS . 4.0 ttmp? -163.84 -54.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 109.841 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.07 -73.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.973 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . 60.4 19.02 8.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.686 176.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -88.0 -46.03 9.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.087 0.47 . . . . 0.0 110.201 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.77 5.94 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.886 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.0 t -72.78 111.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.411 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -47.86 -51.88 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.865 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -88.6 -46.88 8.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -61.93 -38.33 88.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.245 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.55 -43.14 70.13 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -60.13 -46.66 88.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.005 0.431 . . . . 0.0 110.155 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.0 -45.56 73.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.494 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.4 -42.5 98.82 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.172 0.511 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.829 179.113 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 121.238 0.542 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -69.2 107.21 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.675 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG13 ' HA2' ' A' ' 49' ' ' GLY . 18.1 m -79.62 136.74 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.761 -170.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -96.23 104.94 16.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.557 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 19' ' ' SER . 57.1 mt -61.73 133.69 93.67 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.507 177.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 36.5 Cg_exo -59.36 -10.48 10.96 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.05 2.5 . . . . 0.0 112.07 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.73 -22.52 40.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.42 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.3 55.4 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.324 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.856 ' HB2' HD11 ' A' ' 15' ' ' LEU . 11.9 m -152.47 149.94 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.978 0.418 . . . . 0.0 110.188 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.06 119.64 59.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.927 -176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.0 mmm -120.26 140.6 50.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.995 0.426 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -164.19 -178.37 5.5 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.478 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.0 -17.58 64.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.705 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.04 -14.14 39.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 111.415 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -106.24 -21.03 13.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.143 0.496 . . . . 0.0 110.46 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.559 HD21 ' HA3' ' A' ' 45' ' ' GLY . 84.9 mt -74.96 128.28 85.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.913 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.555 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 86.1 Cg_exo -52.53 117.71 3.94 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 111.187 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.26 -40.53 69.63 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.636 2.891 . . . . 0.0 113.457 -173.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.47 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.728 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.471 ' HA ' ' HZ2' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -153.95 93.92 1.7 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.932 175.216 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.564 HG23 ' HD3' ' A' ' 38' ' ' ARG . 15.4 t -69.83 172.55 7.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.562 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -89.48 108.18 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 69.97 94.12 0.08 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.791 -175.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.471 ' HZ2' ' HA ' ' A' ' 30' ' ' ASN . 82.2 m95 -73.49 80.27 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.646 176.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 38' ' ' ARG . 27.1 m -74.58 159.96 5.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.7 -44.8 81.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 0.0 111.569 -174.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -65.69 -32.0 73.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HD3' HG23 ' A' ' 31' ' ' THR . 8.2 ttt180 -73.87 -32.8 63.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.129 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.503 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 93.8 mttt -66.74 -46.29 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 109.717 174.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.581 HG21 HD23 ' A' ' 74' ' ' LEU . 85.7 mt -58.58 -36.97 62.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.641 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.13 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.69 -53.71 38.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.529 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -43.39 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' HE ' HD13 ' A' ' 15' ' ' LEU . 17.6 mtp180 -62.81 -43.64 98.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.792 0.33 . . . . 0.0 110.459 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.559 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -69.63 -37.96 77.71 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.8 -0.637 . . . . 0.0 113.411 -177.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 42' ' ' VAL . 26.8 m -78.45 -58.03 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 117.524 0.662 . . . . 0.0 111.174 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.489 ' N ' HG23 ' A' ' 46' ' ' VAL . 71.9 mt -59.62 -52.29 62.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 O-C-N 123.602 0.564 . . . . 0.0 112.151 -171.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.418 ' CD2' HD21 ' A' ' 15' ' ' LEU . 79.2 t80 -92.9 -18.6 22.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.314 0.578 . . . . 0.0 110.725 -175.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -92.93 -74.2 1.26 Allowed Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.969 -172.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.99 -75.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -165.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.688 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -114.72 167.88 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.152 0.501 . . . . 0.0 111.793 -167.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.0 p -76.78 169.84 17.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.262 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.12 -23.69 66.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.471 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.17 13.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.006 0.431 . . . . 0.0 110.732 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.546 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -61.37 -40.95 96.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.505 0.669 . . . . 0.0 109.65 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -11.66 60.5 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.154 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 29.3 ttpp -93.56 -44.76 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.83 0.348 . . . . 0.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.49 -27.07 62.97 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.797 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.7 m -100.26 -56.17 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.764 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.485 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 24.7 m-85 -105.63 16.39 25.45 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 122.3 -0.25 . . . . 0.0 111.435 -174.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -60.93 -24.59 62.91 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.475 -171.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 54.6 -91.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.21 0.529 . . . . 0.0 110.362 -177.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 50.1 m -148.31 146.09 28.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -54.77 -42.5 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.493 0.187 . . . . 0.0 111.476 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.3 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.01 -57.94 10.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.576 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.33 -40.33 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.694 -175.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.72 -34.64 74.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -62.49 -34.82 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.647 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.503 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 18.5 m0 -65.75 -51.07 62.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.54 . . . . 0.0 109.734 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.446 HG13 HG12 ' A' ' 84' ' ' VAL . 23.2 t -65.94 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.455 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -67.06 -29.88 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.32 56.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 109.905 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.581 HD23 HG21 ' A' ' 40' ' ' ILE . 97.4 mt -80.56 -2.97 48.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.843 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 84' ' ' VAL . . . -76.45 -27.26 56.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.524 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 68.32 -60.54 0.42 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 124.173 0.92 . . . . 0.0 109.794 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -105.69 88.73 2.9 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 171.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.94 44.03 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.977 -172.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -118.03 -37.27 3.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.788 0.327 . . . . 0.0 110.825 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.8 m-20 -85.52 -32.24 22.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.848 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.81 -18.95 0.37 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.435 0.694 . . . . 0.0 112.293 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 80' ' ' ASP . 4.0 mm? -82.81 3.79 28.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.067 0.461 . . . . 0.0 110.874 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -125.13 8.84 7.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.042 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 75' ' ' ALA . 52.6 t -61.49 112.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 22.9 m -55.73 -52.32 64.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.393 0.433 . . . . 0.0 111.761 -174.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.71 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 111.791 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -90.11 -40.44 12.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -173.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -61.74 -33.89 74.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.259 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 85' ' ' THR . 30.5 mtpp -70.64 -48.68 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.316 176.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -59.85 -51.28 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.628 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -57.34 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.51 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.96 -35.86 82.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.096 0.474 . . . . 0.0 111.174 -179.055 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.956 0.408 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.9 tpt -99.82 149.31 23.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.51 169.74 8.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.199 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.7 mt -79.63 -26.83 41.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.958 0.408 . . . . 0.0 110.299 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -90.12 108.08 19.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.941 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -82.96 82.92 8.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.906 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.51 125.26 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.312 0.577 . . . . 0.0 111.688 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' H ' ' HD2' ' A' ' 10' ' ' PRO . 12.5 tp10 -168.4 -49.63 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.306 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' ' 11' ' ' ARG . . . -58.83 -52.37 53.62 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 114.689 -1.141 . . . . 0.0 113.405 175.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' H ' ' A' ' 8' ' ' GLU . 96.9 Cg_exo -46.6 -44.42 21.37 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.775 2.317 . . . . 0.0 112.69 175.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 9' ' ' GLY . 67.1 mtt180 72.2 -32.05 0.24 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.977 0.798 . . . . 0.0 112.609 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.45 ' HB3' HG23 ' A' ' 22' ' ' THR . 3.4 p -130.21 145.24 51.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 0.0 111.492 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 20' ' ' ILE . 11.3 m -102.47 152.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.07 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.622 ' HG1' HG22 ' A' ' 20' ' ' ILE . 22.4 m -103.79 127.19 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.849 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 44' ' ' ARG . 45.6 mt -73.77 160.14 82.71 Favored Pre-proline 0 C--N 1.318 -0.798 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.56 -28.42 21.86 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.661 2.241 . . . . 0.0 112.848 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -154.58 21.78 0.47 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.866 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.71 34.61 3.26 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.746 -1.216 . . . . 0.0 114.499 -169.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 14' ' ' THR . 13.5 t 59.06 -162.17 0.25 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.855 0.36 . . . . 0.0 111.032 173.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.622 HG22 ' HG1' ' A' ' 14' ' ' THR . 31.8 pt -102.09 140.78 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.325 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.0 ttp -138.45 148.7 44.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 12' ' ' SER . 48.0 p -98.25 178.36 5.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.253 0.549 . . . . 0.0 111.662 -175.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' HG2' HD13 ' A' ' 50' ' ' LEU . 87.7 mtm180 -81.26 2.74 26.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.14 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.55 -23.34 15.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.852 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.36 8.22 39.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.446 0.641 . . . . 0.0 111.112 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.77 123.27 89.19 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.727 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HG2' HG23 ' A' ' 42' ' ' VAL . 31.6 Cg_exo -60.3 111.5 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.628 2.219 . . . . 0.0 110.971 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.65 49.55 2.46 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.301 2.667 . . . . 0.0 112.675 -175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.54 -45.82 0.63 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.848 0.859 . . . . 0.0 111.769 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -71.25 -74.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.726 HG21 ' H ' ' A' ' 32' ' ' ARG . 2.2 m 60.48 -170.76 0.14 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.726 ' H ' HG21 ' A' ' 31' ' ' THR . 47.7 mtt180 -118.21 -73.9 0.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.777 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -112.2 121.92 46.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.473 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 96.1 m95 -85.21 93.82 8.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.4 m -90.77 167.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.97 8.37 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.11 0.256 . . . . 0.0 111.493 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.5 t -57.11 -34.28 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.883 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 6.4 tpm_? -68.93 -43.42 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.301 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' A' ' 34' ' ' TRP . 95.1 mttt -68.64 -50.46 51.11 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.913 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.427 HG13 HD22 ' A' ' 74' ' ' LEU . 1.7 mp -58.73 -34.34 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.625 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.84 73.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.489 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG23 ' HG2' ' A' ' 27' ' ' PRO . 11.9 t -67.08 -59.19 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -42.83 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.572 ' HB3' HD23 ' A' ' 15' ' ' LEU . 53.7 mtt180 -70.35 -37.11 74.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.908 0.385 . . . . 0.0 110.562 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.42 -50.64 30.94 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.825 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG21 HG13 ' A' ' 47' ' ' ILE . 30.0 m -69.85 -49.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.733 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.536 HG13 HG21 ' A' ' 46' ' ' VAL . 67.5 mt -73.12 -44.6 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.873 -172.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -91.12 -26.73 18.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.012 0.434 . . . . 0.0 110.887 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.06 -53.27 1.03 Allowed Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.413 -0.899 . . . . 0.0 114.266 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 HD13 ' HG2' ' A' ' 23' ' ' ARG . 3.7 mm? -105.68 -76.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -165.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -131.66 -172.84 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.339 0.59 . . . . 0.0 112.23 -164.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.9 p -86.1 171.14 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.384 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 34.3 tp -72.4 -12.08 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.926 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -51.93 57.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.169 0.509 . . . . 0.0 109.84 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 51' ' ' ILE . 74.8 mm-40 -73.84 -39.56 63.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.544 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -66.32 -18.53 65.41 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.739 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 5.8 ttpm? -89.84 -38.46 13.74 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.468 176.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.67 -36.36 70.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.653 0.263 . . . . 0.0 111.111 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -92.16 -57.46 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 56' ' ' ALA . 38.5 m-85 -105.21 15.27 27.72 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -171.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -73.62 -19.84 79.75 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.876 -171.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 36.75 -102.76 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.599 0.759 . . . . 0.0 112.045 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 66' ' ' GLU . 20.3 m -113.14 133.77 54.87 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 171.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.84 -40.04 91.34 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.259 -0.177 . . . . 0.0 111.324 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.5 -33.63 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 60.8 tt0 -61.81 -48.43 80.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.926 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -60.3 -41.45 93.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.035 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.99 -38.94 90.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.105 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 m -63.54 -28.9 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.523 ' HH2' HD21 ' A' ' 62' ' ' LEU . 45.4 m0 -69.93 -47.37 62.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.255 0.55 . . . . 0.0 109.623 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.24 -38.58 82.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.3 t -61.88 -35.73 79.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.43 -30.54 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.239 0.543 . . . . 0.0 110.243 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD22 HG13 ' A' ' 40' ' ' ILE . 93.4 mt -84.08 -11.59 56.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.473 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.53 -56.74 4.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 67.6 -61.22 0.37 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.886 0.741 . . . . 0.0 110.883 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -101.47 112.38 24.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.01 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.94 54.03 0.68 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.984 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -88.28 -48.73 7.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.396 0.617 . . . . 0.0 109.482 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.3 m-20 -87.15 -35.03 18.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.91 -12.99 0.36 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.886 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' A' ' 80' ' ' ASP . 48.5 tp -104.68 -9.64 18.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.297 0.57 . . . . 0.0 109.791 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -86.93 7.17 28.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.04 123.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 m -44.54 -54.44 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.37 68.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.026 0.441 . . . . 0.0 111.782 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.51 -39.64 13.19 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.47 -39.0 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.924 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 28.6 mmtp -72.31 -41.89 66.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.443 ' O ' HD13 ' A' ' 94' ' ' LEU . 87.8 t80 -69.42 -14.98 63.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 111.084 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.49 ' HG2' HD11 ' A' ' 82' ' ' LEU . 18.3 tpt85 -99.99 -44.8 5.9 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.158 -0.338 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -70.6 -36.25 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.359 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.51 -27.68 66.37 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.719 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.0 mp -69.46 -23.85 63.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.772 0.32 . . . . 0.0 111.397 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.72 86.67 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.296 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 68.94 103.11 0.06 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.906 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -64.45 -67.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.695 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.404 ' HB3' ' H ' ' A' ' 99' ' ' HIS . 39.9 m-70 -161.87 -160.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.404 ' H ' ' HB3' ' A' ' 98' ' ' HIS . 29.1 t-80 -154.8 108.12 2.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.164 0.507 . . . . 0.0 109.907 171.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -74.15 123.87 25.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.841 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.541 178.579 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 tpp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.6 mtt -87.6 145.68 26.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.904 0.383 . . . . 0.0 110.107 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -110.58 26.93 10.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.545 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.84 69.24 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -173.41 150.36 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.944 -1.025 . . . . 0.0 108.38 -171.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 56.8 pttt -75.04 90.07 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.822 0.82 . . . . 0.0 111.232 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.8 23.08 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.809 0.814 . . . . 0.0 109.198 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -84.71 91.31 7.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.048 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.62 65.63 3.41 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.685 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.58 7.44 5.01 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.926 2.417 . . . . 0.0 112.787 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.471 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.3 mmt180 67.7 37.2 3.33 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 111.107 -178.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 p -92.69 108.91 20.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.136 172.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' ILE . 25.6 m -92.85 148.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.458 . . . . 0.0 111.563 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 m -98.52 115.75 29.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.032 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' HB3' ' HD2' ' A' ' 16' ' ' PRO . 88.2 mt -82.86 160.9 59.87 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.436 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 57.4 Cg_endo -69.9 -3.56 12.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.661 2.24 . . . . 0.0 112.841 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.1 1.39 28.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.29 -10.2 56.46 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.062 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 15' ' ' LEU . 17.1 m -75.38 129.18 36.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.371 . . . . 0.0 111.608 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 pt -101.55 105.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 172.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.7 ttp -114.58 128.68 56.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.396 -174.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 2.4 m -92.89 168.23 11.3 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.759 ' HA ' HD23 ' A' ' 26' ' ' LEU . 68.1 ttp85 -64.43 -6.1 6.6 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.272 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -20.51 65.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.986 0.422 . . . . 0.0 110.448 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -99.16 -5.05 30.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.808 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 23' ' ' ARG . 4.6 mm? -85.08 114.62 57.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.15 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.596 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 16.7 Cg_exo -69.23 110.63 2.49 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 123.085 2.523 . . . . 0.0 111.721 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -62.09 -46.91 11.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.372 2.048 . . . . 0.0 111.413 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -170.63 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.153 176.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -116.43 79.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.117 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.596 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 13.8 t -83.15 178.94 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.637 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -82.24 75.84 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.608 0.242 . . . . 0.0 110.685 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 69.76 134.8 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 124.233 0.958 . . . . 0.0 111.837 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -82.53 78.1 9.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.25 177.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.162 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.1 83.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.342 . . . . 0.0 111.378 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 m -61.6 -30.46 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.761 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -75.43 -44.74 42.89 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.897 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -55.69 -55.4 32.65 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.276 0.56 . . . . 0.0 111.208 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.501 HG22 ' HD2' ' A' ' 44' ' ' ARG . 45.1 mt -66.21 -29.18 45.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.631 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.45 94.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.967 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.653 ' O ' HG22 ' A' ' 46' ' ' VAL . 11.7 t -62.85 -57.86 10.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -38.53 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HD2' HG22 ' A' ' 40' ' ' ILE . 29.1 mtt180 -63.97 -51.88 62.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.791 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.563 ' HA3' HD13 ' A' ' 26' ' ' LEU . . . -61.17 -50.76 63.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.929 -175.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 42' ' ' VAL . 22.3 m -66.8 -64.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.993 0.397 . . . . 0.0 111.448 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.584 HG13 HG21 ' A' ' 46' ' ' VAL . 42.4 mt -62.13 -43.35 97.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 122.748 0.419 . . . . 0.0 112.013 -168.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -88.56 -40.37 13.43 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.467 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' HA3' HG12 ' A' ' 13' ' ' VAL . . . -101.15 -52.65 1.06 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.277 -0.963 . . . . 0.0 114.579 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.59 -75.27 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -166.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 55' ' ' GLU . 2.0 pp -141.21 168.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -70.99 169.45 14.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.384 0.611 . . . . 0.0 111.105 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.26 -28.55 69.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.95 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.73 79.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.065 0.46 . . . . 0.0 110.45 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' HB2' HD11 ' A' ' 51' ' ' ILE . 7.4 mm-40 -72.59 -44.08 62.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -55.43 -49.66 71.83 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.194 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -55.71 -47.32 77.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.644 0.259 . . . . 0.0 110.571 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -60.85 -42.36 97.67 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.0 m -100.29 -53.2 3.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 112.064 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 32.5 m-85 -105.53 15.63 26.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.049 -173.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.486 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -72.35 -23.5 77.84 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.213 -175.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 44.05 -97.95 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.526 0.73 . . . . 0.0 111.214 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 32.6 t -115.94 127.33 54.88 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 166.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.44 -40.72 62.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 123.293 0.37 . . . . 0.0 110.829 -174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.23 -36.15 83.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.262 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.96 -51.78 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -62.81 -45.97 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.398 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.41 -37.07 72.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.71 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -62.68 -35.97 81.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -66.08 -46.89 76.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.16 0.505 . . . . 0.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.64 -42.46 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.015 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -62.31 -35.72 79.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.509 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.37 72.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -77.28 -27.76 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.522 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HA ' HG23 ' A' ' 84' ' ' VAL . . . -85.73 8.13 20.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.239 -175.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.8 58.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.9 p80 58.73 16.53 4.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.349 176.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.74 10.13 50.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 13.9 tmtt? -92.56 -45.97 7.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.983 0.42 . . . . 0.0 110.536 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.59 24.9 9.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.212 0.53 . . . . 0.0 110.674 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.88 -6.88 13.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.734 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -99.54 0.98 43.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' A' ' 83' ' ' LYS . 3.4 tmmm? -114.37 -34.84 5.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.826 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 75' ' ' ALA . 40.7 t -59.5 114.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.596 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -55.34 -43.32 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.26 82.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.148 0.499 . . . . 0.0 111.538 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.66 -41.46 14.2 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -59.08 -36.37 74.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.014 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -64.54 -52.11 59.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -57.96 -45.67 86.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 91' ' ' ARG . 6.6 tpt180 -66.89 -41.6 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.204 -176.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -77.87 -27.86 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.028 0.442 . . . . 0.0 110.624 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.72 -34.77 78.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.65 -21.1 22.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.621 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' A' ' 97' ' ' HIS . 9.1 tp10 73.73 153.03 0.13 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.018 0.824 . . . . 0.0 110.873 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -75.09 -33.83 61.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.526 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.481 ' H ' ' HG3' ' A' ' 95' ' ' GLU . 33.5 m-70 -104.13 93.72 4.99 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -97.43 -28.11 14.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.693 -171.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -147.17 17.19 1.2 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -160.97 150.88 17.37 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.358 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.056 171.067 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.872 0.368 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.8 ttt -154.45 115.56 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.307 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 75.1 m-85 -94.22 87.03 5.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.248 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.3 tp -107.18 -49.57 3.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.354 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -81.78 0.27 39.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.666 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 3' ' ' PHE . 40.8 ttmt -162.78 104.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.82 37.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 122.308 1.051 . . . . 0.0 110.024 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -82.72 5.25 21.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.002 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.86 -61.81 0.56 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.358 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.14 133.24 17.7 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.631 2.22 . . . . 0.0 112.895 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -103.76 77.99 1.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.78 173.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 p -162.16 157.14 22.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HA2' ' A' ' 49' ' ' GLY . 2.3 m -112.84 118.61 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.467 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 19' ' ' SER . 23.9 m -77.9 115.54 17.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.392 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HB2' ' CA ' ' A' ' 18' ' ' GLY . 37.6 mt -66.4 154.34 90.9 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.6 -30.79 9.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.312 2.674 . . . . 0.0 112.622 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -142.39 11.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 15' ' ' LEU . . . -116.47 24.78 9.55 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.584 -1.293 . . . . 0.0 114.286 -166.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.657 ' O ' ' HA ' ' A' ' 14' ' ' THR . 61.1 m 62.46 -172.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.976 0.417 . . . . 0.0 111.602 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 pt -76.82 106.62 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.39 0.614 . . . . 0.0 110.643 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.4 ttt -96.13 124.22 40.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.773 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -102.34 160.66 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -72.02 -5.58 36.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.011 0.434 . . . . 0.0 110.707 -178.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.71 -13.97 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.093 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.02 -0.93 57.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' A' ' 23' ' ' ARG . 79.8 mt -81.65 129.08 66.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.745 -175.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.658 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 71.7 Cg_exo -49.07 125.02 12.47 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.875 3.05 . . . . 0.0 112.362 171.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.73 41.13 0.77 Allowed 'Trans proline' 0 N--CA 1.472 0.236 0 C-N-CA 123.459 2.773 . . . . 0.0 113.204 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.58 -60.43 0.47 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.757 0.661 . . . . 0.0 111.191 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -94.53 48.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.29 0.567 . . . . 0.0 109.883 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.658 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.3 m -51.21 131.67 28.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.954 177.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -84.2 -11.55 56.33 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.98 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.4 mpt_? -126.15 85.85 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.408 176.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -89.09 66.83 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.98 0.419 . . . . 0.0 110.642 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 m -80.17 159.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -55.46 -49.28 72.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.191 0.307 . . . . 0.0 110.942 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m -58.59 -28.05 65.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.656 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.514 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.8 ttm180 -81.69 -44.78 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.335 -0.228 . . . . 0.0 111.251 -176.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HA ' HG22 ' A' ' 42' ' ' VAL . 14.8 ptpt -68.38 -33.37 74.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.876 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.586 HG21 HD23 ' A' ' 74' ' ' LEU . 29.4 mm -62.77 -35.7 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.088 0.47 . . . . 0.0 110.085 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.67 69.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 27' ' ' PRO . 28.4 t -61.33 -54.35 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -60.2 -41.28 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.153 178.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 44' ' ' ARG . 53.2 mtt180 -62.71 -47.35 84.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.712 0.291 . . . . 0.0 110.625 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.4 -38.1 93.29 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.289 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 47' ' ' ILE . 28.1 m -78.76 -59.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.421 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.551 HG13 HG21 ' A' ' 46' ' ' VAL . 70.2 mt -65.58 -47.78 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.021 0.439 . . . . 0.0 111.872 -172.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -85.0 -25.04 27.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.353 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.21 -75.33 1.13 Allowed Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.5 -0.857 . . . . 0.0 115.036 -169.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD22 ' HB3' ' A' ' 23' ' ' ARG . 8.0 mp -106.31 -76.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -162.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.559 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.24 173.84 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.55 . . . . 0.0 112.33 -166.018 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -79.69 171.42 15.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.374 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.198 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.54 -53.81 53.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -64.24 -43.85 93.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 0.0 109.815 -179.384 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.43 -9.68 57.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.735 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -94.55 -44.78 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.362 . . . . 0.0 110.364 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 -30.56 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.67 0.272 . . . . 0.0 110.923 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.4 m -100.25 -54.4 2.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.9 m-85 -106.1 17.09 24.06 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.7 -29.49 49.41 Favored Glycine 0 C--N 1.331 0.266 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 -169.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 52.25 -91.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 121.681 0.753 . . . . 0.0 110.531 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.53 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 40.3 m -148.05 144.4 27.87 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.43 -47.92 72.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.988 0.18 . . . . 0.0 111.472 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 3.1 tp10 -62.89 -35.84 81.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 111.225 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.28 -54.79 43.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -62.08 -38.85 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.547 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -57.99 -41.13 82.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.0 m -61.81 -34.56 76.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.02 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -64.78 -54.81 25.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 109.92 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.69 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.932 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 t -63.67 -34.41 77.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 110.675 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.85 -32.94 46.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.115 0.483 . . . . 0.0 110.294 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.586 HD23 HG21 ' A' ' 40' ' ' ILE . 89.3 mt -79.0 -19.45 51.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.949 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.86 -11.43 59.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.356 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.24 -67.36 0.22 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.353 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -88.28 -44.87 10.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.902 0.382 . . . . 0.0 110.566 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.46 -142.23 33.59 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 69.16 -65.68 0.28 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.649 0.78 . . . . 0.0 111.387 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -84.96 -55.84 3.86 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.515 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 67.99 1.0 2.57 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.235 -0.893 . . . . 0.0 113.011 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.0 tp -88.67 -35.04 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.045 0.45 . . . . 0.0 110.447 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 8.3 mptt -93.92 5.52 51.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.43 125.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -51.79 -47.86 64.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.79 70.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 87' ' ' LEU . 2.7 tm? -89.67 -38.7 13.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -173.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.18 -45.91 75.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.8 174.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 36.6 mtpt -67.1 -41.42 86.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.75 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.471 ' O ' HD11 ' A' ' 94' ' ' LEU . 58.0 t80 -57.42 -51.79 67.99 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.404 0.44 . . . . 0.0 110.434 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -69.41 -45.35 69.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.59 -29.04 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp -72.01 -40.19 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.541 0.21 . . . . 0.0 110.722 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.471 HD11 ' O ' ' A' ' 90' ' ' TYR . 11.1 mp -70.82 -42.9 69.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -67.01 -59.12 3.75 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 69.97 -8.23 0.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.537 171.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -142.91 119.92 11.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.682 0.277 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -85.72 3.29 41.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.7 t60 77.75 -50.14 0.51 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 114.673 -1.149 . . . . 0.0 112.009 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -164.41 33.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.282 0.563 . . . . 0.0 110.283 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.677 -179.083 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -78.01 0.42 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.25 -176.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 88.6 m-85 -90.5 -11.36 40.46 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -174.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 8.9 mp 66.57 15.81 10.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.383 0.611 . . . . 0.0 110.379 -175.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -168.92 122.09 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -79.66 113.54 17.89 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.58 68.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.038 174.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -117.35 -68.48 0.92 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.059 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.69 75.94 0.41 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.431 174.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.44 119.92 7.37 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.732 2.288 . . . . 0.0 111.708 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -87.18 -23.37 24.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.47 ' HB2' HG21 ' A' ' 22' ' ' THR . 20.8 t -136.03 145.22 45.82 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.613 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.3 m -116.37 139.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.58 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -93.91 107.52 19.41 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 17' ' ' ASP . 86.4 mt -70.01 139.72 88.05 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.07 -6.54 5.11 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 123.115 2.543 . . . . 0.0 111.479 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 15' ' ' LEU . 15.5 t70 -71.48 -24.91 62.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.771 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.81 1.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.675 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -159.04 135.54 9.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 pt -91.2 127.74 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.302 0.572 . . . . 0.0 110.546 176.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.7 mmm -122.67 142.39 50.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 12' ' ' SER . 66.6 p -114.64 171.4 7.66 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -31.27 70.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.25 62.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.933 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -76.9 -23.28 52.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.41 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.491 HD21 ' HA3' ' A' ' 45' ' ' GLY . 91.7 mt -70.28 131.95 88.24 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.489 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.643 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 19.1 Cg_exo -38.41 119.05 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 124.318 3.346 . . . . 0.0 113.322 176.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.24 47.72 2.11 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.36 2.707 . . . . 0.0 112.915 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.97 -51.53 0.68 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.742 0.817 . . . . 0.0 111.743 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -64.79 -77.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.643 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 4.8 m 65.22 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.995 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -86.56 108.97 18.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.012 0.434 . . . . 0.0 111.612 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 34' ' ' TRP . 30.4 ttp180 76.61 -35.37 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.863 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 31' ' ' THR . 81.5 m95 68.74 100.23 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.029 0.442 . . . . 0.0 111.776 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 26.9 m -90.74 154.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -60.94 -40.39 93.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.9 t -58.36 -34.57 70.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.802 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.592 ' O ' HG22 ' A' ' 42' ' ' VAL . 16.9 ttm-85 -80.39 -30.06 37.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.688 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 24.7 mtpp -64.71 -46.93 80.19 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 74' ' ' LEU . 74.9 mt -62.58 -31.95 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.5 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.28 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.197 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -67.37 -55.79 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.831 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 HG12 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -58.49 -41.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.533 ' O ' ' HB3' ' A' ' 48' ' ' TYR . 72.1 mtm180 -71.14 -33.79 70.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.804 0.335 . . . . 0.0 110.694 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.82 -47.96 36.9 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.819 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG21 HG13 ' A' ' 47' ' ' ILE . 29.5 m -72.92 -50.76 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 122.677 -0.308 . . . . 0.0 111.798 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.588 HG13 HG21 ' A' ' 46' ' ' VAL . 84.5 mt -72.34 -40.75 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 111.838 -172.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.533 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 88.4 t80 -88.75 -26.75 21.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 0.0 111.076 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.45 -57.28 0.84 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.611 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -106.1 -75.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -164.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.522 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -135.16 -173.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.115 0.483 . . . . 0.0 112.289 -164.558 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.455 ' HB ' ' OH ' ' A' ' 90' ' ' TYR . 44.8 p -90.04 177.74 6.38 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.224 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD11 ' CE1' ' A' ' 67' ' ' PHE . 46.3 tp -70.78 -19.81 62.66 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.592 0.234 . . . . 0.0 110.753 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.37 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.48 ' HB2' HG13 ' A' ' 51' ' ' ILE . 4.7 mp0 -70.7 -38.93 73.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.141 0.496 . . . . 0.0 110.125 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -6.63 44.3 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.352 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 37.2 ttmt -92.82 -41.11 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -58.48 -44.4 89.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.034 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 m -96.68 -53.38 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.905 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 44.1 m-85 -106.93 16.52 24.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -171.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -55.96 -37.44 70.64 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 50.3 -92.53 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 -174.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 22.6 m -143.02 147.13 34.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.139 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.11 -48.38 81.93 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.782 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.03 -38.09 78.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.14 -61.8 2.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CE1' HD11 ' A' ' 53' ' ' LEU . 28.7 t80 -60.28 -42.38 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -65.46 -30.59 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.2 t -62.91 -32.73 74.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.41 ' CZ3' ' HB ' ' A' ' 42' ' ' VAL . 21.6 m0 -68.65 -49.24 60.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 109.986 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.35 -38.42 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.27 -34.16 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.939 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -32.97 65.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.179 0.514 . . . . 0.0 110.269 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.4 HD13 HG21 ' A' ' 40' ' ' ILE . 96.5 mt -79.48 -10.65 59.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.647 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -97.3 7.06 47.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.777 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 8.0 tp10 70.2 -82.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.614 0.571 . . . . 0.0 109.782 -176.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 76' ' ' GLU . 84.5 m-70 -135.11 -2.7 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.304 176.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.06 -82.07 0.54 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.188 -0.53 . . . . 0.0 112.18 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 69.96 -66.57 0.27 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.505 1.122 . . . . 0.0 111.559 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.16 -36.33 9.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.398 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 64.34 20.11 12.04 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.652 0.595 . . . . 0.0 110.956 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -108.71 -33.25 7.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.538 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -104.09 5.77 35.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.092 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.09 105.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.327 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.4 m -45.4 -59.6 2.6 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.826 0.704 . . . . 0.0 112.875 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.64 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.86 -42.36 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -174.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -60.51 -38.17 83.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.848 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -74.37 -38.35 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.468 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.641 ' O ' HD13 ' A' ' 94' ' ' LEU . 70.3 t80 -61.64 -31.11 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.02 0.438 . . . . 0.0 110.7 177.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -89.77 -40.67 12.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.14 -26.32 63.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.817 0.342 . . . . 0.0 111.45 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.89 -16.49 61.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.374 0.607 . . . . 0.0 110.261 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.0 mp -105.19 38.28 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.787 176.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.36 160.39 6.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.323 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -101.37 -11.19 19.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.612 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -96.8 85.45 3.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.991 0.9 . . . . 0.0 108.772 168.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -74.34 -8.1 55.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.76 -169.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 16.4 t60 -111.94 29.4 7.9 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 27.4 m80 70.62 -67.25 0.25 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.81 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.845 -0.597 . . . . 0.0 109.513 -179.344 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -60.51 102.63 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.745 0.307 . . . . 0.0 111.261 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -106.59 179.86 4.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 6' ' ' LYS . 6.7 mp -94.86 -156.84 0.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -80.38 23.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.251 0.548 . . . . 0.0 110.515 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 4' ' ' LEU . 22.5 ttpp -141.52 136.61 31.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.363 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.93 ' HB ' ' HD3' ' A' ' 10' ' ' PRO . 23.5 t -67.46 155.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -40.84 81.7 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.151 0.282 . . . . 0.0 111.654 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.15 67.02 0.28 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.334 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.93 ' HD3' ' HB ' ' A' ' 7' ' ' VAL . 4.8 Cg_endo -47.19 112.99 0.59 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.233 2.622 . . . . 0.0 112.794 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.649 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -92.27 -1.66 56.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.907 179.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -140.21 136.39 33.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.901 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.76 136.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.02 -176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -100.18 110.06 22.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.798 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.795 HD13 HH11 ' A' ' 44' ' ' ARG . 91.1 mt -81.77 146.84 57.23 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.014 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -62.84 -3.53 4.73 Favored 'Trans proline' 0 N--CA 1.478 0.59 0 C-N-CA 123.334 2.69 . . . . 0.0 113.583 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.14 -1.32 57.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.03 39.57 10.02 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 128.06 36.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.62 126.74 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.084 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.472 ' HE1' ' HB1' ' A' ' 41' ' ' ALA . 86.9 mtp -120.8 143.85 48.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.708 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -101.45 177.85 4.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.865 0.365 . . . . 0.0 110.326 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HG3' HD12 ' A' ' 50' ' ' LEU . 34.6 ttp-105 -73.84 -1.92 21.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.993 0.425 . . . . 0.0 110.855 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.55 0.44 20.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.163 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.59 0.37 55.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.754 0.311 . . . . 0.0 111.504 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.531 HD23 ' HA3' ' A' ' 45' ' ' GLY . 78.6 mt -83.43 134.04 46.09 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.639 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 84.4 Cg_exo -51.48 111.55 0.61 Allowed 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.967 2.445 . . . . 0.0 112.132 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.99 -48.56 10.09 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.046 2.498 . . . . 0.0 112.745 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -172.49 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.769 0.795 . . . . 0.0 109.873 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -46.07 12.89 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.396 -177.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.639 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 32.4 m 69.63 120.88 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.982 0.802 . . . . 0.0 111.012 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -157.37 115.56 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.817 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -78.86 116.92 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.3 m -119.98 173.87 5.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 168.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.36 99.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.862 0.363 . . . . 0.0 110.68 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -66.56 -24.18 66.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.179 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HB2' HG21 ' A' ' 35' ' ' VAL . 19.5 tpp180 -72.73 -40.69 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.145 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.4 mttt -65.95 -45.12 82.94 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.186 0.517 . . . . 0.0 110.479 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.09 -35.62 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.227 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . -63.41 -30.77 71.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.316 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.543 HG21 ' HG2' ' A' ' 27' ' ' PRO . 18.9 t -66.02 -55.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -35.53 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.537 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.795 HH11 HD13 ' A' ' 15' ' ' LEU . 49.6 mtt180 -66.62 -48.98 67.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.097 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.531 ' HA3' HD23 ' A' ' 26' ' ' LEU . . . -67.15 -30.27 75.49 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.534 -174.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 47' ' ' ILE . 27.5 m -84.33 -57.75 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 46' ' ' VAL . 82.6 mt -67.15 -47.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.97 0.414 . . . . 0.0 111.961 -172.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -90.8 -16.13 28.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.205 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.83 -75.32 1.11 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.282 -0.961 . . . . 0.0 114.567 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD12 ' HG3' ' A' ' 23' ' ' ARG . 68.9 mt -107.56 -76.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -163.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.59 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -119.49 -174.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.11 0.481 . . . . 0.0 112.293 -165.452 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -86.43 171.88 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.134 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.57 -22.37 66.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.375 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.46 -58.12 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' HB3' HG13 ' A' ' 51' ' ' ILE . 24.4 tp10 -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.101 0.476 . . . . 0.0 110.513 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.47 69.34 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.347 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.6 ttpp -83.27 -41.71 18.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.015 0.436 . . . . 0.0 110.254 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.49 -38.1 86.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -97.45 -57.31 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.714 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.405 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 37.6 m-85 -98.61 15.0 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.43 -173.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -76.22 -10.73 85.34 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.563 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.515 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 41.9 -97.34 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.507 0.723 . . . . 0.0 111.69 178.554 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.515 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.5 p -120.8 143.54 48.79 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.81 -37.22 70.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.887 0.375 . . . . 0.0 111.192 -172.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.33 -34.69 65.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.581 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -64.08 -46.47 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.351 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.29 -41.78 99.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.974 0.416 . . . . 0.0 110.05 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -69.01 -27.18 65.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -61.87 -40.13 94.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.323 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.493 ' CH2' HD11 ' A' ' 62' ' ' LEU . 28.2 m0 -62.97 -52.0 64.7 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 109.962 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.28 -37.19 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.707 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 m -65.29 -36.66 84.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.53 58.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.375 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.9 mt -80.74 -8.92 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.584 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.94 -12.81 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.191 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 67.16 -57.59 0.42 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.322 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -82.83 -57.19 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.323 0.582 . . . . 0.0 110.173 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 10.72 85.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.601 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 43.1 mtpt -115.29 -39.09 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.451 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.86 -47.82 64.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.732 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 57.81 21.01 7.04 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.607 0.567 . . . . 0.0 111.254 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.99 -41.06 4.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 -172.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 83.6 tttt -109.74 24.53 12.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.584 0.707 . . . . 0.0 110.528 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.1 t -76.07 97.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.4 m -54.42 -49.24 70.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.505 0.503 . . . . 0.0 112.023 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.2 80.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.014 0.435 . . . . 0.0 111.75 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -86.63 -45.61 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -173.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.69 -32.88 74.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.592 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -67.93 -50.29 56.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.566 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 64.7 t80 -54.36 -52.06 62.81 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.952 0.783 . . . . 0.0 110.436 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -60.14 -51.27 70.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -85.63 0.41 52.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 111.742 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp -93.17 -26.69 17.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 78.6 mt -78.85 -29.28 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.763 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -89.32 105.81 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.075 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.6 97.05 10.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.019 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -89.84 132.03 35.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.71 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -116.34 17.84 15.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.46 174.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -63.03 -49.62 73.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -173.26 149.99 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.577 178.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.259 0.076 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 20.2 mmt 59.35 82.68 0.14 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.043 0.449 . . . . 0.0 110.917 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -107.59 112.58 25.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.41 0.624 . . . . 0.0 111.062 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.22 -23.33 17.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -91.0 -170.28 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.41 173.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 14.8 ptpt -106.89 108.91 20.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.639 0.733 . . . . 0.0 111.697 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -102.29 7.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 122.436 1.113 . . . . 0.0 108.536 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -88.09 86.74 7.15 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.225 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.36 66.82 1.98 Allowed Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.784 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.88 -155.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.764 2.309 . . . . 0.0 112.375 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.665 ' HE ' ' HA ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -94.99 -47.38 6.43 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.966 0.413 . . . . 0.0 110.585 178.364 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 21' ' ' MET . 25.5 t -113.3 140.03 48.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 175.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.3 m -130.73 150.22 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.587 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -96.79 103.78 15.72 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.13 141.4 97.39 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.353 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HG2' HG23 ' A' ' 85' ' ' THR . 27.8 Cg_exo -62.79 -6.12 8.61 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.059 2.506 . . . . 0.0 111.79 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -78.29 -20.44 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.055 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.99 39.95 2.77 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.906 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -139.16 133.13 31.02 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.689 0.28 . . . . 0.0 110.604 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 pt -92.32 112.39 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.276 0.56 . . . . 0.0 109.509 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.446 ' HE3' ' HB2' ' A' ' 41' ' ' ALA . 9.8 tpt -103.16 132.19 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.653 -172.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -121.42 175.32 6.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.797 0.332 . . . . 0.0 110.286 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -67.56 -23.16 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.247 0.546 . . . . 0.0 109.865 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.62 -8.35 59.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.757 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -96.42 1.11 51.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.582 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.516 HD22 ' HA3' ' A' ' 45' ' ' GLY . 94.7 mt -99.87 135.26 20.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.562 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.0 Cg_exo -65.06 108.35 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 123.2 2.6 . . . . 0.0 110.512 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 60.1 Cg_endo -73.16 61.1 3.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.95 2.434 . . . . 0.0 112.368 -176.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.59 9.43 5.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.005 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -166.22 113.69 0.89 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 122.211 1.005 . . . . 0.0 109.727 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.562 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 9.6 t -118.69 159.47 23.58 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.357 168.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.591 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.5 mmp_? -68.57 -24.7 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -160.71 134.05 6.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.114 0.483 . . . . 0.0 110.941 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.656 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 97.5 m95 -90.28 80.41 6.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.587 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.9 m -78.55 155.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.26 71.16 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 111.66 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -59.16 -39.6 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG21 ' A' ' 42' ' ' VAL . 13.7 ttt180 -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.471 -175.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.656 ' HD3' ' HB3' ' A' ' 34' ' ' TRP . 10.1 mmmm -65.15 -51.1 63.21 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.583 HD13 HD22 ' A' ' 74' ' ' LEU . 46.7 mm -61.0 -37.2 76.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.683 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB2' ' HE3' ' A' ' 21' ' ' MET . . . -60.55 -37.23 80.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.415 178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 38' ' ' ARG . 21.3 t -62.64 -54.56 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -52.07 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.79 -37.53 87.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.577 0.227 . . . . 0.0 110.924 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.516 ' HA3' HD22 ' A' ' 26' ' ' LEU . . . -70.72 -43.48 59.54 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.989 -178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 42' ' ' VAL . 35.0 m -78.65 -46.58 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 117.133 0.467 . . . . 0.0 111.832 -177.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.1 mt -72.6 -53.98 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.963 0.411 . . . . 0.0 111.567 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.607 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 34.7 t80 -87.61 -17.63 31.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -173.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.508 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.93 -56.12 0.9 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.512 -0.851 . . . . 0.0 114.102 -174.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -103.67 -71.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -168.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 55' ' ' GLU . 1.6 pp -142.82 -172.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -166.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.58 157.73 31.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.03 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' HB3' ' OH ' ' A' ' 90' ' ' TYR . 44.7 tp -58.24 -29.39 65.71 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -177.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.78 -48.13 78.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.604 0.24 . . . . 0.0 111.322 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' A' ' 51' ' ' ILE . 16.9 tp10 -66.71 -46.48 75.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 0.0 110.871 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -9.71 58.13 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.737 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.462 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 39.4 ttmt -88.52 -40.76 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 82.2 mm-40 -67.11 -27.39 67.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.256 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.9 m -100.38 -62.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.788 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 27.0 m-85 -106.03 15.18 26.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -174.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -63.38 -21.88 64.92 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 114.905 0.722 . . . . 0.0 114.905 -167.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 55.18 -97.05 0.07 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -176.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.497 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m -129.55 141.82 50.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 166.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.47 -49.7 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.319 0.387 . . . . 0.0 110.969 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.56 -39.47 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.01 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -69.51 -49.48 54.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.92 -41.62 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.402 . . . . 0.0 110.193 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.46 -18.57 62.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.625 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -70.07 -29.53 66.55 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.788 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.465 ' CH2' HD11 ' A' ' 62' ' ' LEU . 47.6 m0 -66.35 -45.87 78.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.7 t -66.0 -30.8 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.169 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -67.3 -33.85 76.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.81 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.292 0.568 . . . . 0.0 110.267 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 40' ' ' ILE . 96.0 mt -90.61 -2.57 57.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.842 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.72 84.01 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.131 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.689 ' HB3' ' HD3' ' A' ' 79' ' ' LYS . 38.6 mt-10 55.4 24.27 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.146 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 11.3 m170 -69.41 -23.52 63.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 174.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.26 -13.17 70.13 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.273 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.689 ' HD3' ' HB3' ' A' ' 76' ' ' GLU . 36.4 mtpt -97.15 -73.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.226 0.536 . . . . 0.0 110.371 178.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -132.5 -30.56 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.098 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 77' ' ' HIS . . . 74.93 0.09 3.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.48 0.712 . . . . 0.0 112.264 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -117.93 156.82 27.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 67.81 -4.17 1.03 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.53 106.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 16' ' ' PRO . 24.2 p -55.2 -63.46 1.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.776 -171.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -34.83 61.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.35 -51.91 7.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -173.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 63.1 tttm -63.58 -36.18 82.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.23 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.607 ' HG3' ' HE1' ' A' ' 48' ' ' TYR . 29.0 mmtp -73.56 -35.21 65.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.322 -178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 37.0 t80 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.518 ' HA ' ' HB2' ' A' ' 94' ' ' LEU . 22.2 mtp180 -80.87 -30.71 35.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.439 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 19.4 tp60 -67.61 -33.85 75.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.089 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.5 tp -90.51 -18.19 25.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.535 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 91' ' ' ARG . 6.6 tp -62.74 -41.13 99.05 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.5 145.28 25.83 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 167.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -80.29 75.52 7.09 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.765 -172.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -136.97 86.53 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.711 173.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -95.52 41.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.56 0.695 . . . . 0.0 110.358 -176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -79.41 81.58 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.779 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -95.82 175.3 6.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.813 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.772 178.648 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HG2' ' H ' ' A' ' 2' ' ' MET . 23.1 ttt . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.511 ' H ' ' HG2' ' A' ' 1' ' ' MET . 64.3 mtt 71.64 101.16 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.571 0.544 . . . . 0.0 110.632 -178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -137.21 132.67 34.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.16 0.505 . . . . 0.0 111.186 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -104.73 8.68 35.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.14 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.535 ' HG3' ' H ' ' A' ' 6' ' ' LYS . 10.2 ptp180 -152.82 -65.02 0.16 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.021 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.535 ' H ' ' HG3' ' A' ' 5' ' ' ARG . 9.4 tmtt? -176.23 94.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -170.23 88.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 122.013 0.911 . . . . 0.0 110.806 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' CD ' ' HZ1' ' A' ' 6' ' ' LYS . 1.8 mp0 -76.5 -28.75 56.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.701 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.01 62.18 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.054 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.25 112.27 3.44 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.311 2.007 . . . . 0.0 112.807 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -70.39 -34.84 73.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.41 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.699 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.3 p -111.81 123.27 49.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.345 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.78 153.79 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.0 m -102.5 108.71 20.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' ASP . 90.7 mt -72.47 161.38 79.39 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.85 11.4 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.128 2.552 . . . . 0.0 113.143 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 15' ' ' LEU . 39.6 m-20 -99.4 -7.78 25.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 109.474 174.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.43 15.42 68.78 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -104.48 150.58 24.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.753 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 pt -100.17 130.13 49.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.433 ' HE2' ' HB2' ' A' ' 41' ' ' ALA . 17.4 ttm -126.06 119.57 27.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.921 175.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 4.4 m -89.85 154.92 19.51 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -69.34 -8.29 44.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.066 0.46 . . . . 0.0 110.518 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.61 -10.45 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.778 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -88.06 -13.47 41.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 109.795 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.77 148.19 47.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.471 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.629 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 76.3 Cg_exo -47.67 109.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.244 2.629 . . . . 0.0 111.075 166.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.72 -38.17 90.38 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.638 2.225 . . . . 0.0 112.42 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -176.93 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.067 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -129.34 87.44 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.258 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.629 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 5.6 m -67.05 125.55 26.37 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 169.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -73.43 -26.03 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.562 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -135.43 106.75 6.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.968 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.401 ' CE3' ' HG2' ' A' ' 39' ' ' LYS . 82.3 m95 -87.92 132.83 34.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 38' ' ' ARG . 18.3 m -119.67 157.24 21.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.43 80.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.0 m -59.27 -31.84 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 111.516 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.4 ttt180 -77.62 -28.68 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.314 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 70' ' ' TRP . 82.8 mttt -74.53 -39.7 62.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 109.85 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.601 HG23 HD22 ' A' ' 74' ' ' LEU . 75.8 mt -58.43 -38.58 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.115 173.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' HB2' ' HE2' ' A' ' 21' ' ' MET . . . -63.34 -36.25 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.018 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.578 ' O ' HG21 ' A' ' 46' ' ' VAL . 19.5 t -61.35 -56.54 17.15 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.923 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -40.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -72.11 -37.69 69.46 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.303 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.72 -48.82 59.48 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.409 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.664 HG23 HG13 ' A' ' 47' ' ' ILE . 24.4 m -68.7 -56.46 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 O-C-N 122.721 -0.282 . . . . 0.0 111.662 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.664 HG13 HG23 ' A' ' 46' ' ' VAL . 81.2 mt -70.02 -44.36 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.33 0.394 . . . . 0.0 111.912 -170.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -85.27 -29.96 24.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.028 0.442 . . . . 0.0 111.115 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -60.75 0.81 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.328 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.14 -76.25 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -165.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.506 HD11 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.15 171.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.2 0.524 . . . . 0.0 112.349 -166.232 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -69.38 165.0 21.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.732 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.93 -33.59 73.4 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.893 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.502 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.67 -45.54 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.83 -9.65 58.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.855 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -89.36 -36.39 15.54 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 30.0 mm-40 -65.42 -43.0 91.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.251 0.548 . . . . 0.0 110.01 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -92.18 -54.25 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.447 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 74.4 m-85 -105.69 16.51 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -171.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.14 -21.21 69.8 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.15 -173.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 45.44 -96.47 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.44 0.696 . . . . 0.0 111.34 -177.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -140.5 144.45 36.0 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.13 -48.34 44.81 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.458 0.474 . . . . 0.0 111.578 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.683 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.15 -44.82 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.44 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.668 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -66.14 -32.54 74.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.442 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -60.28 -40.21 89.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.859 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.496 ' CE2' ' HB3' ' A' ' 39' ' ' LYS . 38.1 m0 -63.95 -51.41 64.51 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-O 121.134 0.492 . . . . 0.0 110.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.08 -43.23 98.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.997 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.0 m -65.76 -30.41 71.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.55 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 109.921 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -79.49 -19.77 48.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.814 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -75.04 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.509 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 74.86 -38.59 0.39 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.883 0.739 . . . . 0.0 110.204 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' A' ' 75' ' ' ALA . 79.9 m-70 -129.56 122.48 29.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 171.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.92 55.86 3.89 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.028 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.53 -51.46 0.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.136 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.7 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.614 -174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . . . 70.05 -9.93 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.404 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.7 tp -76.28 -13.8 60.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.39 0.614 . . . . 0.0 110.32 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.96 -20.03 56.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.686 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.82 119.75 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.208 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 m -53.75 -38.23 64.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 111.924 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.34 55.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.601 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -87.83 -39.9 14.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.38 -38.45 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.743 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 18.8 mmtp -71.52 -34.3 69.95 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 176.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.505 ' O ' HD13 ' A' ' 94' ' ' LEU . 35.7 t80 -66.82 -16.57 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 110.366 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -94.84 -49.44 5.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.2 -33.68 76.36 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.61 -30.84 71.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 90' ' ' TYR . 9.8 mp -82.44 61.22 5.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.65 0.738 . . . . 0.0 110.432 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.7 125.79 41.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.522 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -88.67 107.16 18.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -83.99 86.09 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.728 -167.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -74.3 135.94 42.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.17 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -130.47 -66.86 0.75 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.948 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -72.61 -28.35 62.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.269 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 C--O 1.249 1.037 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 177.279 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.4 mtt 68.49 -61.46 0.4 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.671 0.788 . . . . 0.0 111.281 -176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.83 154.73 20.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.55 -23.71 64.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.472 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -131.82 -75.64 0.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -159.25 -89.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.031 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.5 t 47.76 54.21 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.998 0.904 . . . . 0.0 109.847 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -92.06 -57.52 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.626 -174.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.29 -64.69 1.45 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.94 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.61 126.57 7.5 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.067 2.511 . . . . 0.0 112.165 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -83.4 85.05 7.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.524 0.678 . . . . 0.0 109.365 173.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -121.07 144.02 48.77 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.979 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG13 ' HA2' ' A' ' 49' ' ' GLY . 9.3 m -105.41 131.08 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.063 0.459 . . . . 0.0 111.022 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -92.53 111.36 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -84.34 156.59 62.7 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.71 -4.39 7.04 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.899 2.399 . . . . 0.0 112.494 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.03 -20.22 42.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.102 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.72 -21.62 41.61 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -80.6 134.35 35.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.417 -0.391 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 pt -95.85 133.95 35.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.228 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.4 mmm -106.4 135.32 48.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.978 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.33 162.88 26.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.861 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.32 -11.95 46.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.9 -9.89 35.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.314 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.48 -11.29 29.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.044 0.449 . . . . 0.0 111.058 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD11 HD12 ' A' ' 50' ' ' LEU . 48.3 mt -68.69 139.95 91.6 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.941 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.547 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 25.9 Cg_exo -64.36 115.3 3.1 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 111.536 170.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.543 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 7.2 Cg_exo -73.74 64.37 4.84 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 123.157 2.571 . . . . 0.0 112.132 -178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.13 -54.05 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.757 0.823 . . . . 0.0 111.9 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.552 ' O ' HG23 ' A' ' 31' ' ' THR . 13.2 p30 -98.14 -42.6 7.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER 62.03 -2.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.184 0.994 . . . . 0.0 112.567 177.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.477 ' H ' ' C ' ' A' ' 30' ' ' ASN . 25.0 mtp85 73.19 -34.47 0.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.463 1.105 . . . . 0.0 112.419 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -154.1 113.48 3.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -86.36 126.32 34.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.752 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.2 m -122.12 172.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 170.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.29 78.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.583 0.23 . . . . 0.0 111.463 -177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.1 p -65.48 -29.18 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.601 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.57 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.6 mmt180 -61.55 -44.05 97.75 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 91.6 mttt -67.24 -48.06 68.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 HG22 HD23 ' A' ' 74' ' ' LEU . 45.8 mm -62.33 -28.08 43.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.7 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.38 -29.35 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.184 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 38' ' ' ARG . 10.5 t -69.85 -52.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -54.05 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.415 ' CZ ' HG23 ' A' ' 40' ' ' ILE . 72.8 mtm180 -66.83 -31.05 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.006 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.39 -44.26 90.82 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.56 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.421 HG23 HG13 ' A' ' 47' ' ' ILE . 27.4 m -80.91 -47.76 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 HG13 HG23 ' A' ' 46' ' ' VAL . 83.0 mt -68.11 -37.31 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -173.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -93.53 -32.39 14.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.499 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -101.48 -55.89 0.88 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.935 -170.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.424 HD12 HD11 ' A' ' 26' ' ' LEU . 90.9 mt -105.31 -76.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -164.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 55' ' ' GLU . 1.7 pp -143.51 -175.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -165.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 p -83.56 177.9 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.241 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.484 ' HG ' ' HE2' ' A' ' 57' ' ' LYS . 57.3 tp -61.54 -29.74 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.609 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.28 -55.53 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.759 0.314 . . . . 0.0 111.408 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' HB3' HD12 ' A' ' 51' ' ' ILE . 25.5 tp10 -65.22 -42.28 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.129 0.49 . . . . 0.0 110.17 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.5 -27.47 67.62 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.947 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.649 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 41.7 mtmt -83.56 -33.06 25.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.654 -0.819 . . . . 0.0 111.37 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.39 -39.72 92.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.889 0.376 . . . . 0.0 110.804 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.7 m -96.9 -53.53 3.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.591 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.6 m-85 -106.1 16.68 24.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.36 -171.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.649 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -62.17 -23.99 64.73 Favored Glycine 0 C--O 1.227 -0.343 0 CA-C-O 118.483 -1.176 . . . . 0.0 115.93 -166.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 32.05 -95.63 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.389 0.676 . . . . 0.0 112.382 -176.085 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 m -127.33 131.6 50.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.59 -42.46 88.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.954 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 2.9 mp0 -53.3 -44.27 68.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.232 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.58 -51.32 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.443 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -57.85 -44.65 86.68 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.741 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -65.41 -29.55 70.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.3 m -65.14 -37.03 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.612 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.45 ' HH2' HD21 ' A' ' 62' ' ' LEU . 32.7 m0 -64.5 -51.14 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.962 0.41 . . . . 0.0 109.923 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.0 -39.3 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.3 m -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.71 -29.52 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.232 0.539 . . . . 0.0 110.517 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.463 HD23 HG22 ' A' ' 40' ' ' ILE . 92.5 mt -81.91 -6.56 59.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.772 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.41 -8.69 57.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.05 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.73 -58.67 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.477 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -154.56 131.28 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.427 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.24 24.4 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.741 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 179.93 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.894 0.378 . . . . 0.0 110.529 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -131.64 -57.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.703 -173.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 76.66 -18.57 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.658 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.36 -34.13 15.8 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.03 0.443 . . . . 0.0 110.527 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -83.61 9.65 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.45 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -68.29 117.42 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -54.27 -45.16 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.419 0.449 . . . . 0.0 112.122 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.88 66.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.869 0.366 . . . . 0.0 111.952 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -83.22 -47.17 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.72 -40.09 82.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.044 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.44 -46.91 84.13 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.317 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.596 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 79.8 t80 -56.14 -43.98 78.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.787 0.327 . . . . 0.0 110.527 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -73.33 -43.62 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 111.52 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.36 -32.57 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 111.009 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp -69.65 -31.9 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.6 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 78.0 mt -83.72 -10.55 58.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.093 0.473 . . . . 0.0 110.506 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -83.67 122.61 28.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.809 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -81.67 66.32 7.18 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 173.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 98' ' ' HIS . 1.6 t60 -68.34 -25.94 65.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.999 -168.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 97' ' ' HIS . 39.0 t-80 71.18 124.62 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.252 0.548 . . . . 0.0 111.168 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -85.17 158.25 20.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.67 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -147.91 174.88 11.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.461 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 C--O 1.246 0.884 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.541 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.146 0.498 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.1 mtt -109.76 -82.01 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.241 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 51.44 53.0 13.59 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.582 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -49.46 73.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.741 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -127.06 -75.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.118 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -159.95 162.72 34.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.769 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.5 t -82.12 70.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.743 0.782 . . . . 0.0 110.063 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -150.82 99.27 2.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.95 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.11 -45.27 1.14 Allowed Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.453 -172.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.15 78.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 123.067 2.512 . . . . 0.0 114.622 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 4.9 mmp_? -116.35 29.15 8.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 165.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.529 ' HB3' HG21 ' A' ' 22' ' ' THR . 4.0 p -99.65 174.14 6.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.71 -171.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.524 HG11 ' HA2' ' A' ' 49' ' ' GLY . 1.3 m -129.16 119.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.148 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.3 m -84.07 136.95 33.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.447 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.576 HD12 ' HE ' ' A' ' 44' ' ' ARG . 82.1 mt -94.96 153.12 39.94 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.126 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.13 -22.0 30.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.043 2.495 . . . . 0.0 112.347 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.95 -30.35 67.83 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -13.47 26.76 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.388 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -90.51 139.81 30.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.912 0.387 . . . . 0.0 110.672 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 pt -99.38 153.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.056 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.538 ' HG3' ' HB2' ' A' ' 25' ' ' ASP . 33.6 ttm -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.929 0.395 . . . . 0.0 111.09 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.529 HG21 ' HB3' ' A' ' 12' ' ' SER . 67.0 p -103.4 -179.86 4.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.258 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -69.79 -18.78 63.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.805 173.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.26 -28.07 42.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.538 ' HB2' ' HG3' ' A' ' 21' ' ' MET . 22.2 m-20 -76.68 -18.86 58.31 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.301 0.572 . . . . 0.0 109.915 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD22 ' HA3' ' A' ' 45' ' ' GLY . 96.1 mt -84.5 137.77 38.86 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.344 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.762 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 66.4 Cg_exo -44.08 122.75 3.76 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 123.856 3.038 . . . . 0.0 111.992 171.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.47 -53.75 3.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.958 2.438 . . . . 0.0 112.383 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.66 -53.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.046 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -82.39 -56.45 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.688 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.762 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.9 m 63.08 89.02 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.664 0.603 . . . . 0.0 110.408 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -84.37 21.64 1.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.926 -171.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG3' HG13 ' A' ' 35' ' ' VAL . 29.3 tpt180 -163.46 89.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.859 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -83.85 90.0 7.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.303 0.573 . . . . 0.0 110.911 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.527 HG13 ' HG3' ' A' ' 33' ' ' ARG . 34.0 m -94.17 167.11 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.11 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -55.51 -45.03 77.13 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.478 0.486 . . . . 0.0 111.381 -176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -58.67 -41.64 86.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.256 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.68 ' O ' HG22 ' A' ' 42' ' ' VAL . 70.4 mtt-85 -73.2 -33.86 65.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.502 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 58.4 mtpt -58.57 -55.18 38.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.179 0.514 . . . . 0.0 110.032 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.613 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 57.5 mt -62.83 -37.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.312 177.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.13 79.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.356 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 38' ' ' ARG . 34.5 t -63.77 -54.3 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.223 -0.191 . . . . 0.0 110.844 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.95 -45.58 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.258 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.632 ' HD3' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -73.61 -28.35 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.485 177.494 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.632 ' N ' ' HD3' ' A' ' 44' ' ' ARG . . . -72.48 -39.56 56.34 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.382 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.486 HG21 ' N ' ' A' ' 47' ' ' ILE . 33.4 m -83.53 -54.64 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.673 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG22 ' HB2' ' A' ' 90' ' ' TYR . 78.9 mt -64.77 -51.29 69.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -87.85 -19.67 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.138 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.524 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -102.26 -75.12 1.08 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 114.774 -172.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.18 -75.81 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -161.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -123.38 174.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.096 0.474 . . . . 0.0 112.205 -167.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -78.0 167.66 21.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.68 -32.37 73.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.667 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.22 85.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.372 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.531 ' OE1' ' HB ' ' A' ' 51' ' ' ILE . 28.7 mt-10 -69.77 -40.67 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.547 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.1 -9.04 58.36 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 27.7 ttpp -94.99 -39.32 10.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.129 0.49 . . . . 0.0 110.294 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.29 -19.54 58.18 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.384 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -100.57 -66.36 0.91 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 90.8 m-85 -101.64 15.7 28.09 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -176.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -71.99 -14.72 76.13 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.574 -170.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 54.85 -92.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.037 0.492 . . . . 0.0 109.954 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 66' ' ' GLU . 2.1 m -127.42 142.18 51.49 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.02 -61.3 1.94 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.22 -29.29 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.717 0.294 . . . . 0.0 111.215 -177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 28.7 tt0 -58.2 -47.11 84.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.527 175.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.04 -42.04 63.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.04 -26.49 67.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.073 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 t -63.99 -32.77 74.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -71.52 -43.24 66.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.95 -41.81 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.674 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 p -69.33 -24.7 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.628 0.251 . . . . 0.0 111.129 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.65 -33.33 64.44 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.17 -14.3 53.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.868 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' HA ' HG11 ' A' ' 84' ' ' VAL . . . -78.92 -22.89 45.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.495 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 69.96 -66.98 0.25 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 124.162 0.913 . . . . 0.0 110.916 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.67 -20.22 20.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -176.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.5 -79.39 1.56 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.692 173.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 81' ' ' ALA . 85.0 tttt -69.08 -24.34 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.109 0.48 . . . . 0.0 111.095 -173.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.4 m-20 -78.52 32.62 0.19 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.392 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.503 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -60.72 -17.32 47.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.774 -175.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.95 -23.29 61.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.173 0.511 . . . . 0.0 110.538 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -107.44 -3.28 19.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.243 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.4 t -76.27 124.77 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.297 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.449 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 7.1 m -49.34 -57.42 6.9 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.63 0.581 . . . . 0.0 112.219 -175.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.31 74.82 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 2.1 tm? -84.79 -40.07 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -174.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -59.35 -37.02 76.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.143 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 85' ' ' THR . 71.2 mmtt -64.69 -47.14 79.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.577 ' HB2' HG22 ' A' ' 47' ' ' ILE . 71.1 t80 -61.08 -49.28 77.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.448 -177.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.187 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -64.83 -39.43 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.271 0.557 . . . . 0.0 109.738 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.89 -20.93 60.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.869 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.11 -25.36 52.1 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.016 0.436 . . . . 0.0 110.505 176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' HB3' ' H ' ' A' ' 96' ' ' HIS . 1.1 tm-20 -79.51 -122.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 97' ' ' HIS . 35.7 p-80 -171.08 -65.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 170.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 96' ' ' HIS . 37.3 m80 -168.25 85.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -174.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -144.75 135.99 25.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.102 -177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -111.91 171.5 7.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -150.6 85.86 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.226 0.536 . . . . 0.0 110.12 174.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 85.9 t60 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.796 -178.695 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.754 0.312 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.2 ptp -94.94 12.54 27.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.878 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 66.74 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.313 -174.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.7 tp 179.11 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 5' ' ' ARG . 46.1 ttm180 -85.12 -21.42 29.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.918 -178.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 41.3 mtpt 70.67 131.86 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.564 -176.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.3 t -97.52 86.84 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.666 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -126.83 7.89 6.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.162 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' N ' ' HD2' ' A' ' 10' ' ' PRO . . . -154.61 -61.54 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.828 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 9' ' ' GLY . 2.2 Cg_endo -48.03 104.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.748 2.965 . . . . 0.0 114.026 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' THR . 2.7 mpp_? 62.2 7.61 2.3 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.322 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.43 ' HB3' HG23 ' A' ' 22' ' ' THR . 55.8 p -118.86 113.13 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.98 136.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.459 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.5 m -97.97 107.5 19.99 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.491 HD12 ' SD ' ' A' ' 21' ' ' MET . 76.9 mt -71.19 158.62 87.7 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.433 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.28 -3.22 9.54 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.8 2.333 . . . . 0.0 110.616 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.94 -41.29 74.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.096 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.17 -30.29 6.61 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 m -79.8 145.8 32.62 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.126 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 pt -100.39 148.19 7.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.148 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.491 ' SD ' HD12 ' A' ' 15' ' ' LEU . 83.3 mtp -127.81 121.26 29.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 12' ' ' SER . 71.8 p -103.98 -178.24 3.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.844 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 3.1 tmt_? -60.54 -24.85 65.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.637 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.64 -10.53 24.89 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.38 -33.02 60.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.662 0.268 . . . . 0.0 111.243 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 pp -86.3 158.07 55.48 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.631 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.449 ' CB ' ' HB ' ' A' ' 31' ' ' THR . 38.2 Cg_endo -83.22 107.06 1.43 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.894 2.396 . . . . 0.0 111.877 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.808 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 6.0 Cg_exo -78.48 63.25 8.41 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.483 2.789 . . . . 0.0 112.051 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.98 -54.52 0.66 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.728 0.811 . . . . 0.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -95.54 75.06 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.566 0.698 . . . . 0.0 109.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.449 ' HB ' ' CB ' ' A' ' 27' ' ' PRO . 13.1 t -91.71 177.95 6.06 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.988 171.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.62 -47.25 19.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.838 0.351 . . . . 0.0 110.454 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -148.02 128.52 14.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.756 0.312 . . . . 0.0 110.671 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.97 71.87 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.629 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.3 m -77.75 163.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.061 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . . . -56.02 -40.29 73.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 0.0 111.218 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.3 m -58.71 -39.17 80.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.438 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.671 ' O ' HG22 ' A' ' 42' ' ' VAL . 90.1 mtt-85 -76.37 -34.11 58.91 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.889 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HD2' ' HA ' ' A' ' 36' ' ' ALA . 67.0 mttm -57.75 -50.29 73.73 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.368 0.604 . . . . 0.0 110.002 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.29 -36.31 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.659 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.43 80.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.291 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 38' ' ' ARG . 36.1 t -61.93 -55.73 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -32.62 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.909 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.24 -53.22 52.46 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.112 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.22 -41.73 94.63 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.506 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 HG13 ' A' ' 47' ' ' ILE . 27.9 m -71.68 -57.04 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 117.346 0.573 . . . . 0.0 111.218 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.571 HG13 HG21 ' A' ' 46' ' ' VAL . 67.9 mt -67.9 -56.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 111.612 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -77.93 -26.61 49.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.327 -174.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.21 -65.17 0.81 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.304 -0.95 . . . . 0.0 114.873 -170.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.68 -74.18 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -162.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.625 HD11 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -125.48 177.26 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.415 0.626 . . . . 0.0 112.627 -163.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 p -82.74 173.19 12.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.26 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.83 -26.57 68.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.38 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.71 80.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.244 0.545 . . . . 0.0 110.853 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HB2' HG13 ' A' ' 51' ' ' ILE . 16.9 mm-40 -68.12 -45.97 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.28 -12.31 61.5 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.073 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.423 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.7 ttpp -88.81 -40.15 13.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.083 0.468 . . . . 0.0 109.803 176.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.6 -46.29 88.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.646 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -92.78 -51.04 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.808 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 52.0 m-85 -105.8 16.09 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.98 -30.45 77.05 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.962 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 44.52 -96.02 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.214 0.606 . . . . 0.0 111.32 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -134.05 144.44 48.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -62.81 -34.09 76.58 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.76 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -60.79 -48.31 82.38 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.419 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -60.06 -51.9 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.739 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.25 -42.45 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.827 0.346 . . . . 0.0 110.828 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -64.2 -33.34 75.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.9 p -62.33 -34.58 76.91 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.305 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -67.77 -53.59 25.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 109.923 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.35 -44.39 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.507 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.1 p -69.1 -31.03 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.276 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.61 -27.5 62.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.24 -27.96 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.924 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -89.62 -25.59 21.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.003 -177.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 71.88 -11.42 0.76 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.202 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.465 ' H ' ' C ' ' A' ' 75' ' ' ALA . 62.0 m-70 -135.86 117.01 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.59 60.14 0.68 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.625 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.482 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 22.6 mtmt -127.04 -67.03 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.577 0.703 . . . . 0.0 110.052 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.7 m-20 -62.08 -29.27 70.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.58 -175.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.03 -31.51 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.131 0.972 . . . . 0.0 110.527 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 80' ' ' ASP . 95.4 mt -86.24 -11.92 51.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.849 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -101.39 10.14 40.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.151 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 60.0 t -86.56 113.7 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -43.56 -58.23 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -20.22 60.28 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.5 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -89.34 -42.11 11.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -174.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -60.15 -39.46 86.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -72.01 -36.39 69.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.652 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.464 ' O ' HD13 ' A' ' 94' ' ' LEU . 61.0 t80 -67.65 -13.81 62.41 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.441 0.639 . . . . 0.0 110.327 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -97.38 -51.1 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.94 -32.27 71.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.94 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.21 -27.08 68.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.128 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.3 mp -88.87 13.4 12.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.908 -173.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -64.77 104.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -72.46 -27.4 62.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.492 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -89.47 73.56 7.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.359 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -80.56 -2.09 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.691 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -68.54 -40.19 80.8 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 173.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 49.6 -92.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 O-C-N 124.538 1.149 . . . . 0.0 111.937 173.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.9 p80 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 119.078 -0.487 . . . . 0.0 110.271 174.507 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -88.35 156.62 19.06 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -74.44 130.93 40.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.13 173.7 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.163 -176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -83.57 55.05 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.079 0.942 . . . . 0.0 110.994 -174.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -127.69 9.87 6.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.144 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.04 22.98 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.218 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -62.38 -30.68 71.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.697 0.76 . . . . 0.0 109.265 176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.52 72.6 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.49 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.93 -19.18 24.73 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.339 2.693 . . . . 0.0 114.171 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' A' ' 11' ' ' ARG . 12.7 tpt180 -79.19 62.99 3.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.465 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 22.8 m -113.26 152.84 29.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -101.86 138.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.637 173.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -101.45 117.74 35.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD13 ' HD3' ' A' ' 44' ' ' ARG . 64.5 mt -80.31 144.96 58.86 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.829 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.21 -7.16 11.29 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.011 2.474 . . . . 0.0 112.682 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -20.34 50.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.227 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.61 53.68 1.3 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.646 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t -157.16 147.33 20.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 pt -111.67 143.04 22.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 0.0 111.046 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mtp -135.3 143.6 46.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.97 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.465 ' HB ' ' OG ' ' A' ' 12' ' ' SER . 8.8 t -142.54 -177.31 5.22 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -62.57 -5.47 2.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.23 -13.22 26.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.989 0.423 . . . . 0.0 110.897 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -99.18 -0.03 42.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -82.96 139.44 42.86 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.202 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HG2' HG22 ' A' ' 42' ' ' VAL . 85.5 Cg_exo -51.28 116.24 2.56 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.057 2.505 . . . . 0.0 111.816 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 24.6 Cg_exo -65.92 73.49 0.33 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.419 2.746 . . . . 0.0 113.175 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.8 -72.34 0.07 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.836 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.685 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.823 HG23 ' H ' ' A' ' 32' ' ' ARG . 2.6 m 62.52 -166.71 0.22 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.823 ' H ' HG23 ' A' ' 31' ' ' THR . 64.7 mmt-85 -118.96 -62.03 1.57 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 33' ' ' ARG . 52.5 mtt180 -123.55 130.87 53.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.929 175.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -92.23 83.58 5.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.87 157.23 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.811 176.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.16 -46.02 68.71 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.3 0.375 . . . . 0.0 111.446 -175.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -61.73 -33.7 74.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.065 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' O ' HG21 ' A' ' 42' ' ' VAL . 20.0 ttm180 -79.06 -32.06 44.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.918 -177.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 22.0 mtpp -63.4 -50.35 70.2 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.404 HG23 HD11 ' A' ' 74' ' ' LEU . 74.1 mt -61.6 -33.12 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.273 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.5 -29.93 70.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.098 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 38' ' ' ARG . 12.5 t -69.33 -51.16 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -36.92 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.444 178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.506 ' HD3' HD13 ' A' ' 15' ' ' LEU . 72.7 mtt-85 -66.28 -47.46 73.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.608 175.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.22 94.18 Favored Glycine 0 C--O 1.229 -0.217 0 CA-C-N 115.615 -0.72 . . . . 0.0 113.634 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 42' ' ' VAL . 25.0 m -81.05 -61.28 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 117.39 0.595 . . . . 0.0 111.131 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.521 HG13 HG22 ' A' ' 46' ' ' VAL . 80.2 mt -60.82 -51.4 73.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -171.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -90.01 -20.25 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 110.469 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.84 -74.33 1.08 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.294 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -105.4 -76.43 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -163.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.489 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -129.62 174.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.24 0.543 . . . . 0.0 112.151 -166.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -79.64 167.38 20.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 53.2 tp -62.14 -27.37 68.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.271 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -57.93 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' HB3' HG13 ' A' ' 51' ' ' ILE . 45.0 tt0 -61.04 -38.15 85.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -62.49 -40.03 95.36 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.138 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 96.4 mttt -57.86 -50.04 74.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 118.368 0.531 . . . . 0.0 111.008 177.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -58.17 -42.71 86.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.287 -175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.4 m -101.33 -51.79 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.64 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.2 m-85 -105.9 17.35 23.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -171.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.472 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -57.16 -23.54 47.59 Favored Glycine 0 C--O 1.227 -0.322 0 N-CA-C 115.533 0.973 . . . . 0.0 115.533 -169.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 40.34 -92.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.648 0.779 . . . . 0.0 112.272 -175.112 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -147.36 147.06 29.92 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -58.47 -50.68 72.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.02 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 53' ' ' LEU . 48.5 t80 -63.32 -39.77 95.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.69 -38.66 85.72 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.397 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -63.77 -32.14 73.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.545 0.212 . . . . 0.0 110.889 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.447 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 29.7 m0 -70.35 -49.43 49.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.97 -35.76 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.658 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -62.89 -34.91 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.181 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.105 0.478 . . . . 0.0 110.364 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD11 HG23 ' A' ' 40' ' ' ILE . 97.0 mt -75.43 -32.53 60.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.817 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.85 5.38 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 53.35 54.47 10.13 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.775 0.672 . . . . 0.0 110.547 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 71.8 10.71 6.3 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.212 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 53.94 2.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -64.47 -26.21 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 111.437 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -161.54 -41.43 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.537 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 65.4 12.73 8.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.605 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.5 mt -120.28 -28.34 5.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -97.27 -14.22 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.948 0.404 . . . . 0.0 110.278 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.77 117.39 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.345 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.3 m -48.12 -56.16 8.51 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -173.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.11 70.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -44.94 10.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -174.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -56.15 -42.28 76.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.044 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.62 -48.09 56.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.35 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.553 ' O ' HD11 ' A' ' 94' ' ' LEU . 32.2 t80 -65.77 -21.21 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 91' ' ' ARG . 41.5 ttt-85 -92.26 -45.06 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.877 0.37 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.47 -34.28 60.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.545 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.08 -24.81 68.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.993 0.425 . . . . 0.0 111.354 -176.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.553 HD11 ' O ' ' A' ' 90' ' ' TYR . 10.9 mp -78.46 -5.33 52.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.121 -178.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -103.84 34.74 2.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.064 0.459 . . . . 0.0 110.226 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -55.05 -27.91 48.21 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.685 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -115.21 73.24 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.231 0.539 . . . . 0.0 109.761 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -76.92 -65.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 t60 69.8 -53.58 0.61 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.89 0.876 . . . . 0.0 112.275 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.84 131.91 45.17 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.485 0.314 . . . . 0.0 110.214 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.848 179.88 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.663 0.268 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.0 ttt -89.49 122.96 33.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.791 0.329 . . . . 0.0 111.357 -173.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -123.63 -69.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.498 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.5 mt 66.19 2.51 2.36 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.37 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 5' ' ' ARG . 21.8 mtp180 61.3 26.94 16.69 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.623 0.369 . . . . 0.0 111.942 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -118.36 14.81 13.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.516 ' O ' ' HD2' ' A' ' 10' ' ' PRO . 32.3 t -91.37 115.23 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.777 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.23 94.27 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.164 0.507 . . . . 0.0 109.998 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.93 -60.06 0.19 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.627 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.516 ' HD2' ' O ' ' A' ' 7' ' ' VAL . 6.2 Cg_exo -73.11 71.56 3.54 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.964 2.443 . . . . 0.0 111.791 175.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -93.35 16.0 14.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.647 0.736 . . . . 0.0 109.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -134.41 146.26 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.174 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG13 ' HA2' ' A' ' 49' ' ' GLY . 24.0 m -111.72 151.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.791 0.329 . . . . 0.0 111.299 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -109.73 118.31 36.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.821 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD12 ' HD3' ' A' ' 44' ' ' ARG . 43.8 mt -81.96 151.95 67.91 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.042 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.61 -0.46 3.75 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.769 2.313 . . . . 0.0 111.566 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -76.27 -22.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.002 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.8 -7.73 61.14 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.518 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -103.3 151.91 22.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 pt -99.12 164.98 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.258 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -134.31 129.62 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.25 0.548 . . . . 0.0 109.969 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.79 175.01 10.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.108 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -74.33 57.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 111.015 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 -38.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.375 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.73 13.37 20.38 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.932 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -90.82 114.55 61.79 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.843 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 69.1 Cg_exo -46.13 113.03 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.675 2.917 . . . . 0.0 112.73 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 4.8 Cg_exo -75.69 56.81 4.77 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.517 2.811 . . . . 0.0 112.797 -176.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 72.85 -58.89 0.58 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.721 0.809 . . . . 0.0 112.117 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -76.64 -65.81 0.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.458 -179.16 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 3.8 m 60.51 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.769 0.668 . . . . 0.0 111.667 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 34.9 ptt85 -66.85 110.37 3.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.018 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 68.67 91.06 0.09 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.437 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.443 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 41.3 m95 -70.47 92.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.607 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 m -83.36 165.63 2.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.01 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.332 0.395 . . . . 0.0 111.119 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 t -59.87 -36.29 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.787 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.768 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -72.33 -47.13 52.1 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 178.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.02 -51.18 70.74 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.313 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.13 -34.72 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.89 76.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.644 HG21 ' O ' ' A' ' 38' ' ' ARG . 24.1 t -65.11 -58.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.658 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -42.06 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.486 ' HD3' HD12 ' A' ' 15' ' ' LEU . 99.6 mtt180 -68.99 -42.71 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.72 0.295 . . . . 0.0 110.7 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' O ' ' HA3' ' A' ' 49' ' ' GLY . . . -69.28 -35.59 77.16 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.648 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG21 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -85.02 -55.99 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 117.6 0.7 . . . . 0.0 111.4 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.431 ' N ' HG23 ' A' ' 46' ' ' VAL . 76.7 mt -62.72 -48.77 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 123.351 0.407 . . . . 0.0 111.88 -172.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -97.28 -9.19 28.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.314 0.578 . . . . 0.0 110.231 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -101.44 -75.74 1.15 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.456 -0.878 . . . . 0.0 114.34 -173.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.32 -75.54 0.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -165.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.82 -179.27 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.759 -166.356 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.1 p -77.5 168.55 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.606 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 45.3 tp -66.73 -35.83 81.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.795 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 58' ' ' GLN . . . -60.36 -40.25 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.662 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -64.95 -46.16 82.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.32 0.581 . . . . 0.0 110.1 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.35 -2.5 25.48 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.216 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.843 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 55.9 mtpt -93.91 -36.71 12.07 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 54' ' ' ALA . 76.5 mt-30 -59.84 -41.46 91.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -100.27 -51.91 3.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.741 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m-85 -107.62 19.12 20.6 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.274 -0.393 . . . . 0.0 111.88 -169.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.843 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -35.86 -34.75 0.08 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 116.643 1.417 . . . . 0.0 116.643 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.741 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 2.9 mt 58.94 -149.76 0.45 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 117.336 0.568 . . . . 0.0 110.446 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 m -111.38 148.8 32.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.199 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.56 -51.52 62.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.511 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.86 -39.82 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.317 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.49 -53.99 49.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.531 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 58.5 t80 -64.38 -36.75 85.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.956 0.408 . . . . 0.0 110.129 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.21 -42.47 91.03 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.953 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.7 p -63.19 -37.74 88.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.261 -175.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.407 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 34.7 m0 -63.94 -54.89 27.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.118 0.485 . . . . 0.0 110.573 -176.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -66.24 -38.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.137 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.8 m -67.12 -31.69 72.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.628 0.251 . . . . 0.0 111.266 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.61 60.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 109.924 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 96.7 mt -77.04 -23.15 52.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.687 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.509 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 73.36 -43.37 0.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 110.569 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.427 ' H ' ' C ' ' A' ' 75' ' ' ALA . 3.3 p-80 -130.03 118.47 21.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.51 -10.74 79.76 Favored Glycine 0 N--CA 1.454 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB3' ' HZ1' ' A' ' 79' ' ' LYS . 9.5 mtpm? -62.56 -70.21 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.486 0.66 . . . . 0.0 110.727 175.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 83' ' ' LYS . 4.1 m-20 -85.09 60.17 6.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.531 -175.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -23.19 66.12 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.391 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp -87.8 -6.94 57.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.438 0.637 . . . . 0.0 110.197 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 34.6 ttmt -99.98 0.15 40.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 0.0 109.583 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.9 t -82.86 123.43 38.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.635 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 p -50.83 -45.8 59.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.07 84.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.979 0.418 . . . . 0.0 111.843 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -87.35 -40.09 14.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -58.19 -37.14 74.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.569 175.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.21 -50.04 67.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.553 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.482 ' O ' HD13 ' A' ' 94' ' ' LEU . 43.8 t80 -61.15 -44.89 96.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -66.19 -39.0 89.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.217 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -80.68 -33.91 35.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.043 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.03 -27.73 69.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.336 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 90' ' ' TYR . 8.0 mp -64.68 -39.75 94.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.22 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 70.39 -45.42 0.59 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.874 0.87 . . . . 0.0 112.56 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -47.92 112.64 0.59 Allowed 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.974 0.51 . . . . 0.0 111.938 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -59.24 127.44 32.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.998 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -68.67 87.36 0.33 Allowed 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.753 0.787 . . . . 0.0 112.12 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -171.44 37.98 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 175.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.72 -41.09 61.26 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.559 -172.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.489 -179.527 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.578 0.227 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.1 ttt -173.54 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -110.4 114.35 27.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.151 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.661 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.4 pt? -79.11 2.97 18.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.346 0.593 . . . . 0.0 110.178 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -83.42 -28.76 28.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.468 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -159.74 113.59 2.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.901 0.382 . . . . 0.0 111.524 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.706 ' HB ' ' HD3' ' A' ' 10' ' ' PRO . 21.2 t -125.14 152.05 31.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.66 -43.89 87.99 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -175.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.64 60.2 0.42 Allowed Glycine 0 CA--C 1.522 0.485 0 C-N-CA 119.752 -1.214 . . . . 0.0 113.918 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.706 ' HD3' ' HB ' ' A' ' 7' ' ' VAL . 36.4 Cg_endo -68.52 125.89 13.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.303 2.002 . . . . 0.0 112.26 173.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -83.65 85.87 7.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.799 0.809 . . . . 0.0 109.084 169.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 t -114.7 131.28 56.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.262 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.524 HG13 ' HA2' ' A' ' 49' ' ' GLY . 15.9 m -97.69 125.41 50.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -86.9 104.6 16.39 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.65 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 17' ' ' ASP . 66.9 mt -66.05 153.8 91.06 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.739 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.26 41.94 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.254 2.636 . . . . 0.0 111.119 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 15' ' ' LEU . 24.1 t70 -135.45 -43.58 0.69 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.865 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.84 -26.03 4.08 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -80.73 150.46 29.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.404 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -116.46 140.42 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.493 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mmm -124.9 150.63 46.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -157.9 179.33 9.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 23' ' ' ARG . 14.5 ttm-85 -65.61 -25.58 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 110.511 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -18.19 63.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.58 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.65 -12.47 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.179 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.54 HD23 ' HA3' ' A' ' 45' ' ' GLY . 85.4 mt -69.88 122.53 86.26 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.562 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 51.7 Cg_exo -57.35 118.55 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.72 2.28 . . . . 0.0 111.67 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.13 51.02 2.72 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.034 2.49 . . . . 0.0 112.206 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.12 -56.1 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.761 0.824 . . . . 0.0 111.028 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -104.58 53.89 0.73 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.321 0.582 . . . . 0.0 110.57 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.562 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 10.4 t -68.96 165.06 20.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.718 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -92.92 124.43 36.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.485 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.7 mmp_? 61.89 87.11 0.1 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.291 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -69.01 120.85 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.068 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -121.22 160.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.84 -46.06 71.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.886 0.374 . . . . 0.0 111.672 -176.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.8 m -68.46 -25.1 64.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.66 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.1 ttm-85 -75.39 -38.04 60.19 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 21.3 mtpp -59.65 -48.03 83.28 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.704 0.764 . . . . 0.0 109.598 175.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.575 HG22 HD21 ' A' ' 74' ' ' LEU . 84.1 mt -61.7 -37.44 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.886 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.48 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -61.91 -58.46 7.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.462 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -31.82 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.21 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.003 0.43 . . . . 0.0 110.296 173.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.54 ' HA3' HD23 ' A' ' 26' ' ' LEU . . . -71.83 -27.0 71.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.853 -174.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.619 HG23 HG13 ' A' ' 47' ' ' ILE . 16.2 m -82.1 -63.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 117.775 0.787 . . . . 0.0 110.888 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.619 HG13 HG23 ' A' ' 46' ' ' VAL . 71.8 mt -60.96 -50.4 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.647 0.592 . . . . 0.0 112.025 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -97.09 -8.21 30.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.052 0.453 . . . . 0.0 110.229 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.524 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -100.98 -75.83 1.17 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.964 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.82 -76.31 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 pp -118.15 -176.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -165.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 170.09 10.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.979 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.797 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.64 76.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -64.79 -48.41 74.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.814 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.36 68.3 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.177 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 16.3 ttpp -85.43 -42.88 14.1 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.623 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.82 -29.54 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.64 0.257 . . . . 0.0 111.102 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -100.06 -56.69 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 36.7 m-85 -105.54 16.6 25.2 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -173.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -60.97 -26.88 66.18 Favored Glycine 0 C--O 1.228 -0.269 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -170.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 49.68 -90.64 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.453 0.701 . . . . 0.0 110.966 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.5 t -137.42 144.22 42.27 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 174.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.65 -42.45 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.168 0.509 . . . . 0.0 109.795 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.18 -46.48 86.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.858 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -56.96 -54.89 41.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.65 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -63.17 -41.94 99.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.162 -174.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -70.49 -20.56 62.84 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.918 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -71.87 -30.14 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.39 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -69.09 -45.67 69.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.406 HG11 ' HB1' ' A' ' 86' ' ' ALA . 36.1 t -66.2 -39.56 84.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.664 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -61.19 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.36 -28.92 67.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.377 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.575 HD21 HG22 ' A' ' 40' ' ' ILE . 96.1 mt -87.37 -7.21 58.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.418 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.502 ' HB2' HG12 ' A' ' 84' ' ' VAL . . . -99.87 -17.15 17.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.041 174.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 72.83 -49.75 0.7 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.23 0.956 . . . . 0.0 111.22 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -127.24 111.0 13.45 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.125 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.91 -103.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp 70.83 -60.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.503 0.721 . . . . 0.0 111.886 172.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -85.24 -37.28 20.24 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.3 -10.29 1.38 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.16 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -100.16 -37.58 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 110.194 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -86.93 20.52 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.15 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 75' ' ' ALA . 92.7 t -60.94 120.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.7 m -48.04 -53.13 17.33 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' HB1' HG11 ' A' ' 71' ' ' VAL . . . -75.07 -19.52 59.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -91.14 -42.67 10.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -175.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.07 -37.97 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.214 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -73.09 -36.47 66.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.705 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.556 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 46.1 t80 -61.03 -45.0 96.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 87' ' ' LEU . 9.6 mmm180 -58.68 -53.48 57.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.032 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.58 -32.08 73.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 78.1 mt -66.37 -65.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.207 178.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' CD ' ' H ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER 59.87 -173.44 0.11 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -171.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.427 ' H ' ' CD ' ' A' ' 95' ' ' GLU . 39.6 m-70 62.09 96.23 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.719 0.295 . . . . 0.0 110.999 177.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -62.66 -43.75 98.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.2 t60 54.31 -97.52 0.07 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.912 0.757 . . . . 0.0 111.01 173.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -140.15 18.58 2.43 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -104.28 138.8 40.2 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.19 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.5 t60 . . . . . 0 C--O 1.24 0.589 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.363 172.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.009 0.433 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.5 ptm -89.89 18.0 6.15 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.065 -0.397 . . . . 0.0 111.153 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -67.88 131.09 44.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -74.5 123.58 25.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.42 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 67.59 -108.85 0.11 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.292 177.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -152.37 171.95 17.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.5 28.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.559 0.695 . . . . 0.0 109.86 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -93.12 97.13 10.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.402 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.37 53.35 4.15 Favored Glycine 0 CA--C 1.523 0.589 0 CA-C-N 115.533 -0.758 . . . . 0.0 113.738 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -80.96 79.35 3.33 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.999 1.799 . . . . 0.0 111.194 174.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -68.42 -18.41 64.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.838 -173.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -71.81 109.93 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -72.76 129.75 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.406 0.622 . . . . 0.0 111.398 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -98.42 108.26 20.92 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.124 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.95 154.62 88.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.05 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -62.04 -5.9 7.07 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.821 2.347 . . . . 0.0 112.023 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -44.74 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.65 175.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.9 -24.03 5.2 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.055 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 t -80.16 137.15 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 20' ' ' ILE . 2.6 pp -98.76 144.04 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 177.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.486 ' HE3' ' O ' ' A' ' 41' ' ' ALA . 75.6 mtp -124.54 133.4 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -111.22 -179.34 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.519 174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.727 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -81.87 8.26 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.765 0.793 . . . . 0.0 109.446 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.76 -27.64 17.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.786 171.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.25 -36.67 46.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.849 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.12 124.48 86.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.644 -179.634 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 82.4 Cg_exo -50.15 132.85 34.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.14 2.56 . . . . 0.0 113.198 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 76.4 Cg_exo -52.3 -53.95 6.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.092 2.528 . . . . 0.0 112.469 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -48.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.821 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.579 ' O ' HG23 ' A' ' 31' ' ' THR . 28.7 p-10 -128.89 0.68 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.835 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 30' ' ' ASN . 2.7 t 60.21 -53.96 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.2 1.4 . . . . 0.0 112.554 -174.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER 175.88 -61.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 42.7 ttm180 -139.75 2.77 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.468 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.532 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 76.5 m95 64.83 95.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.208 -177.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m -88.31 145.85 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 170.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.99 -48.03 67.77 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.324 0.39 . . . . 0.0 111.752 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -57.68 -33.28 68.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.861 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.653 ' O ' HG21 ' A' ' 42' ' ' VAL . 22.1 ttt180 -85.23 -24.35 27.87 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.924 -176.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HE2' ' HB3' ' A' ' 34' ' ' TRP . 63.0 mttm -60.45 -49.1 78.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.599 0.714 . . . . 0.0 109.249 170.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.52 -34.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.666 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' O ' ' HE3' ' A' ' 21' ' ' MET . . . -67.28 -32.37 73.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.653 HG21 ' O ' ' A' ' 38' ' ' ARG . 23.6 t -64.86 -54.85 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.571 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.425 HG11 ' CZ ' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -59.01 -38.3 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.392 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -69.78 -42.63 73.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.34 97.43 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.241 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.607 HG21 HG13 ' A' ' 47' ' ' ILE . 17.5 m -82.92 -62.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.332 0.566 . . . . 0.0 111.66 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.607 HG13 HG21 ' A' ' 46' ' ' VAL . 69.5 mt -62.93 -35.67 72.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 111.99 -170.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.444 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 40.7 t80 -97.45 -26.73 14.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.329 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -70.93 0.93 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.508 -172.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 mp -105.56 -75.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -166.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 55' ' ' GLU . 29.2 pt -121.52 164.17 18.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -166.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 p -80.82 -178.82 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.513 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.616 ' O ' ' HB2' ' A' ' 57' ' ' LYS . 51.8 tp -75.41 -7.94 55.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.013 0.435 . . . . 0.0 110.304 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 -60.82 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.873 0.368 . . . . 0.0 110.181 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.48 ' HB3' HD11 ' A' ' 51' ' ' ILE . 9.4 tp10 -66.96 -38.36 85.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.275 0.56 . . . . 0.0 109.973 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 53' ' ' LEU . . . -68.5 -13.07 62.07 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.512 178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.649 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 3.4 ttmp? -87.97 -43.3 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.247 0.546 . . . . 0.0 109.643 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.69 -38.51 90.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.94 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 -50.62 3.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.06 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.69 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.2 m-85 -108.24 18.06 21.51 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -171.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.649 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -44.7 -38.75 5.71 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -168.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 51.44 -99.84 0.08 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.573 0.702 . . . . 0.0 109.469 -173.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 m -156.31 146.03 20.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 169.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.21 -36.31 65.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 117.867 0.303 . . . . 0.0 110.785 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.47 -42.67 95.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.772 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.3 -51.48 69.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.054 0.454 . . . . 0.0 109.853 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CZ ' HG11 ' A' ' 43' ' ' VAL . 53.0 t80 -64.16 -46.53 83.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.318 -174.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -70.42 -22.87 62.68 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.209 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.2 m -65.91 -30.47 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.711 0.291 . . . . 0.0 110.495 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.4 ' HE3' HG13 ' A' ' 43' ' ' VAL . 25.3 m0 -68.75 -45.51 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.256 0.551 . . . . 0.0 109.572 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.545 HG11 HD23 ' A' ' 87' ' ' LEU . 45.4 t -68.21 -42.05 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.554 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 m -63.81 -29.37 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.579 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.32 -32.23 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.317 0.58 . . . . 0.0 109.891 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.88 -29.39 55.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.548 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.23 -28.83 61.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.559 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 69.75 -68.25 0.2 Allowed 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.207 0.942 . . . . 0.0 110.653 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -104.52 129.39 52.57 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.45 69.91 2.92 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -141.65 -80.6 0.24 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.85 0.357 . . . . 0.0 110.3 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.41 65.54 7.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.645 0.736 . . . . 0.0 110.719 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -13.65 62.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.481 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 77.4 mt -79.25 -6.13 55.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.579 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -102.0 -10.76 19.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.273 0.559 . . . . 0.0 110.085 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.3 114.26 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.832 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -49.3 -49.12 45.21 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.699 0.624 . . . . 0.0 112.547 -175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.49 -30.73 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.6 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD23 HG11 ' A' ' 71' ' ' VAL . 1.5 tm? -83.02 -45.03 14.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' A' ' 82' ' ' LEU . 87.3 tttt -62.59 -34.15 76.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.522 177.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 48' ' ' TYR . 57.0 tttm -58.1 -58.56 7.88 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.675 176.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 94' ' ' LEU . 8.9 t80 -65.09 -40.8 95.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.754 0.658 . . . . 0.0 111.211 -175.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 91' ' ' ARG . 24.5 ttt85 -67.3 -40.08 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.953 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.576 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 6.2 tp-100 -82.6 -15.0 53.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.483 0.658 . . . . 0.0 110.242 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 tp -78.25 -10.42 59.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.245 0.545 . . . . 0.0 110.487 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 90' ' ' TYR . 8.5 mp -96.18 44.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.169 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 92' ' ' GLN . 47.1 mt-10 -67.95 -16.83 64.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.018 0.437 . . . . 0.0 111.113 178.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -81.6 50.9 1.57 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.401 0.62 . . . . 0.0 110.772 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -152.5 141.15 20.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.089 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -88.76 153.17 21.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 110.736 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -77.74 168.35 20.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.775 -177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -81.62 122.41 27.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.437 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.03 178.739 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.642 0.258 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -119.69 -11.96 9.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.547 0.213 . . . . 0.0 111.468 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.7 t80 65.41 -172.01 0.19 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.35 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.7 mt -90.03 11.45 20.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.336 -0.228 . . . . 0.0 111.155 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 62.3 19.25 10.89 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.084 0.468 . . . . 0.0 112.055 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -126.57 81.39 2.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.019 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.71 112.96 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -86.12 -5.47 59.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.905 0.384 . . . . 0.0 111.384 -174.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.99 -61.07 5.16 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.876 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -65.89 104.91 0.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.6 2.2 . . . . 0.0 111.994 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -99.92 18.75 17.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.515 0.674 . . . . 0.0 109.233 174.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 21' ' ' MET . 1.1 m -69.86 104.25 2.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.699 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.58 123.99 42.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.496 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.2 m -76.05 107.96 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.611 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 44' ' ' ARG . 43.1 mt -76.86 141.29 68.01 Favored Pre-proline 0 N--CA 1.445 -0.713 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 34.5 Cg_exo -61.12 -9.0 11.18 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.9 2.4 . . . . 0.0 112.549 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.24 -17.37 59.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.138 0.494 . . . . 0.0 109.884 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.47 46.9 2.07 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.296 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 m -152.17 145.54 24.77 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -107.02 117.37 52.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.193 0.521 . . . . 0.0 110.332 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' SER . 94.6 mmm -93.92 134.84 35.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 p -115.55 173.71 6.39 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.239 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.155 0.503 . . . . 0.0 110.207 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.18 -31.5 30.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.54 -30.7 64.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.728 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD22 ' HA3' ' A' ' 45' ' ' GLY . 93.9 mt -56.62 128.48 75.09 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.309 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.67 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.5 Cg_exo -48.7 110.66 0.36 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.2 2.6 . . . . 0.0 111.538 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.28 -47.99 24.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.06 2.507 . . . . 0.0 112.947 -173.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -178.7 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.5 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.618 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.67 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.6 m 68.82 137.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.952 0.782 . . . . 0.0 111.036 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -87.78 -32.28 19.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.39 . . . . 0.0 110.992 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -138.77 112.26 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.585 0.707 . . . . 0.0 111.08 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.549 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 86.9 m95 -95.11 88.59 5.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.354 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.402 HG22 ' HB2' ' A' ' 38' ' ' ARG . 33.7 m -94.23 171.52 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.893 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.19 95.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.834 0.349 . . . . 0.0 111.056 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 m -66.73 -22.91 66.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.952 0.405 . . . . 0.0 110.775 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.613 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.91 -42.13 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.052 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HE3' ' HB3' ' A' ' 34' ' ' TRP . 1.5 mptm? -52.64 -58.86 5.46 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.885 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.784 HD13 HD23 ' A' ' 74' ' ' LEU . 30.1 mm -58.77 -37.57 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.119 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.84 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 38' ' ' ARG . 40.2 t -70.67 -53.26 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.513 HG13 HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -60.85 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 -176.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.561 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.8 mtt-85 -69.67 -33.17 72.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.665 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.497 ' HA3' HD22 ' A' ' 26' ' ' LEU . . . -65.91 -42.36 94.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.648 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.2 m -85.98 -50.54 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 122.505 -0.409 . . . . 0.0 111.471 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.513 HD13 HG13 ' A' ' 43' ' ' VAL . 25.1 mt -72.54 -48.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -173.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 66.3 t80 -88.4 -16.04 33.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.317 0.579 . . . . 0.0 109.837 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.27 -74.65 1.06 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.446 -0.797 . . . . 0.0 114.434 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.514 ' HB3' HG21 ' A' ' 51' ' ' ILE . 9.2 mp -105.95 -75.37 0.63 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -164.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.584 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -127.77 -177.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -162.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.767 HG22 ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -76.85 159.11 30.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.468 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.08 -28.27 68.96 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.136 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.23 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.302 0.572 . . . . 0.0 110.533 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.767 ' HG2' HG22 ' A' ' 52' ' ' THR . 26.2 mm-40 -74.88 -36.14 62.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.598 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -73.85 -6.42 47.0 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.123 177.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 20.7 mtpp -87.51 -45.27 10.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.98 0.419 . . . . 0.0 109.987 173.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -60.8 -37.61 82.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.302 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 m -100.22 -55.64 2.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.521 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.5 m-85 -106.58 16.2 24.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.154 -171.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -56.26 -37.44 73.14 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-O 119.312 -0.715 . . . . 0.0 114.694 -167.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 55.89 -95.25 0.05 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -173.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.511 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.1 p -142.34 146.01 34.53 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 166.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -48.28 -52.23 22.24 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 69' ' ' SER . 7.2 tp10 -64.98 -34.04 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.428 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.05 -53.72 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.7 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.06 -44.52 92.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.0 110.063 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.491 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 3.9 t -68.04 -30.17 69.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -71.29 -45.9 62.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.81 176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.446 HG21 ' CG1' ' A' ' 43' ' ' VAL . 11.3 t -60.54 -45.77 96.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 p -68.15 -26.8 65.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.185 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.31 60.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.229 0.537 . . . . 0.0 109.837 176.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.784 HD23 HD13 ' A' ' 40' ' ' ILE . 70.7 mt -77.54 -21.19 52.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.613 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -44.16 74.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.129 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 69.46 -50.86 0.61 Allowed 'General case' 0 N--CA 1.469 0.513 0 O-C-N 124.253 0.971 . . . . 0.0 111.357 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -84.25 -48.8 9.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.205 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.96 -54.85 3.48 Favored Glycine 0 CA--C 1.52 0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.812 174.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.98 -38.77 83.52 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.609 0.364 . . . . 0.0 111.709 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 82' ' ' LEU . 2.3 m-20 -59.27 -64.93 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.45 -27.28 0.19 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.343 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 80' ' ' ASP . 3.9 pp -104.37 -7.77 19.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -101.03 -9.3 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.61 112.76 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.26 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.4 m -53.24 -36.87 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.79 84.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.053 0.454 . . . . 0.0 111.366 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -89.53 -38.55 13.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.13 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.01 -37.18 81.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.164 176.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -72.82 -42.99 63.24 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.593 ' HE1' ' HA ' ' A' ' 52' ' ' THR . 79.5 t80 -57.8 -54.03 51.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.636 0.585 . . . . 0.0 110.895 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -66.51 -31.97 73.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.034 0.445 . . . . 0.0 110.555 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 92' ' ' GLN . 4.9 tt0 -68.49 -47.18 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 174.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.52 -33.93 75.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.216 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 90' ' ' TYR . 11.1 mp -74.82 -18.86 60.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.977 0.418 . . . . 0.0 111.22 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.617 ' HG2' ' HB3' ' A' ' 100' ' ' HIS . 8.1 tp10 -110.08 168.48 9.4 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.059 -175.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -129.38 150.96 50.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.79 0.329 . . . . 0.0 110.518 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 98' ' ' HIS . 0.4 OUTLIER -54.46 143.35 24.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.441 -177.661 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 97' ' ' HIS . 82.9 m-70 75.83 1.9 3.6 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.91 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -103.45 -33.27 9.13 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.617 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 55.7 t-80 -153.81 148.17 26.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.319 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.265 -0.874 . . . . 0.0 109.484 177.57 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.716 0.293 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.08 151.52 28.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 168.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.1 t80 68.21 27.23 6.8 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.961 0.886 . . . . 0.0 109.541 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.6 tp -102.7 93.14 4.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.04 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 56.85 28.86 15.15 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.133 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -96.43 8.61 43.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.473 0.654 . . . . 0.0 109.873 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 t -131.69 142.98 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 58.31 79.67 0.2 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.816 0.817 . . . . 0.0 110.116 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.92 55.12 2.32 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.735 -174.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.3 163.16 39.73 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.094 1.862 . . . . 0.0 111.827 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -90.12 -30.54 17.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.031 -175.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -93.72 139.8 30.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.861 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.86 145.46 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 0.0 110.715 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -101.95 118.7 37.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.966 0.412 . . . . 0.0 110.469 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD12 ' HD3' ' A' ' 44' ' ' ARG . 60.4 mt -74.3 152.86 88.11 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.744 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.54 -16.79 31.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.503 2.135 . . . . 0.0 111.75 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.12 -17.69 61.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.743 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.26 3.54 55.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.249 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.1 t -100.11 142.49 31.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 pt -100.17 129.21 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.381 . . . . 0.0 110.179 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.1 mmm -115.53 138.79 50.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.308 0.575 . . . . 0.0 111.49 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.47 169.74 16.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -64.56 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 118.136 0.425 . . . . 0.0 111.165 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.2 -3.66 52.98 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.909 0.385 . . . . 0.0 111.41 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -98.46 -1.6 40.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.285 0.564 . . . . 0.0 109.606 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD23 ' HA3' ' A' ' 45' ' ' GLY . 99.1 mt -92.73 139.4 23.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.718 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.2 Cg_exo -46.67 111.81 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 123.102 2.535 . . . . 0.0 112.299 173.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 3.0 Cg_exo -75.49 62.53 6.27 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 123.302 2.668 . . . . 0.0 113.028 -173.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.16 -59.32 0.48 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.819 0.848 . . . . 0.0 112.07 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -74.31 -67.34 0.63 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.175 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 7.8 m 71.18 138.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.763 0.664 . . . . 0.0 111.135 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -96.68 90.55 5.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.918 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 74.27 106.44 0.07 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -80.68 90.48 5.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.191 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.439 HG22 ' HG2' ' A' ' 38' ' ' ARG . 31.8 m -81.71 168.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.71 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.658 0.265 . . . . 0.0 111.219 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -60.82 -31.51 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.251 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.903 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -71.52 -46.29 60.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.797 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 86.8 mttt -64.67 -51.02 64.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.13 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.26 -33.06 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.355 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 38' ' ' ARG . 7.7 t -67.35 -53.62 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.05 -43.34 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 -178.598 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' HD3' HD12 ' A' ' 15' ' ' LEU . 28.5 mtt85 -62.72 -43.71 98.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 176.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 26' ' ' LEU . . . -68.98 -48.63 46.7 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.698 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.1 m -73.35 -49.11 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.402 0.601 . . . . 0.0 111.497 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.593 HG22 ' CD1' ' A' ' 90' ' ' TYR . 40.8 mt -62.25 -46.01 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 123.532 0.52 . . . . 0.0 111.967 -174.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.79 -32.76 13.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.44 -55.93 0.84 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.243 0.857 . . . . 0.0 115.243 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.827 ' HG ' HG13 ' A' ' 51' ' ' ILE . 34.2 tp -94.39 -77.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -159.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.827 HG13 ' HG ' ' A' ' 50' ' ' LEU . 1.8 pp -151.3 179.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.351 0.596 . . . . 0.0 112.508 -169.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.9 p -75.01 165.86 24.59 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.047 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.15 -19.88 65.97 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.804 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.27 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.529 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HB3' HD12 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -69.39 -50.52 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.621 -179.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.32 75.06 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.953 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 34.5 ttpt -68.03 -43.97 77.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.406 0.548 . . . . 0.0 111.099 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.71 -35.22 79.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.768 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.0 m -100.09 -55.99 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.862 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.513 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 19.9 m-85 -105.58 16.49 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -173.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.31 -17.77 64.4 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-O 119.417 -0.657 . . . . 0.0 114.458 -169.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 53.23 -95.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.16 -179.351 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.483 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 23.9 t -151.41 151.44 31.7 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 172.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.708 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 10.4 t70 -48.49 -49.7 34.74 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.469 0.481 . . . . 0.0 110.303 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -50.63 -44.52 57.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.012 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.7 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.73 -36.03 73.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.542 . . . . 0.0 110.737 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.708 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.7 t-20 -56.59 -44.65 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.568 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -65.08 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.528 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.511 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 29.8 m0 -62.35 -51.41 67.72 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 109.894 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 t -69.28 -35.95 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.751 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -62.74 -41.53 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.566 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.16 -27.23 61.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.5 mt -83.16 -26.75 30.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.874 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -77.1 -42.79 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 5.0 mm-40 71.87 -45.96 0.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.98 0.8 . . . . 0.0 112.275 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.558 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 74.7 m-70 -94.03 -77.82 0.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.739 0.304 . . . . 0.0 110.923 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.54 -27.69 19.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.527 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -68.31 -29.21 67.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.558 ' OD1' ' HB2' ' A' ' 77' ' ' HIS . 29.5 p-10 -97.78 36.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.536 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.38 -4.18 10.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.107 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.0 tp -86.61 -15.27 40.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.581 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 35.8 ttpt -105.7 -91.37 0.4 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.646 176.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 31.8 t 43.11 100.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.836 0.855 . . . . 0.0 112.155 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.5 p -48.58 -44.28 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.52 -26.28 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.522 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.2 tm? -90.24 -42.77 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -175.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 86.2 tttt -60.24 -40.52 90.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -66.71 -44.04 82.69 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.355 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.593 ' CD1' HG22 ' A' ' 47' ' ' ILE . 21.9 t80 -56.61 -50.41 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.78 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -62.88 -49.09 76.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -60.04 -40.59 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.503 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 60.9 tp -69.46 -33.91 73.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 90' ' ' TYR . 6.0 mp -72.87 -46.09 54.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.422 177.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.95 -49.4 75.79 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' A' ' 93' ' ' LEU . 3.0 t-160 51.03 33.36 8.89 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.063 0.852 . . . . 0.0 112.526 165.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -65.86 -58.39 5.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 111.167 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -147.69 167.78 23.76 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -122.28 145.92 47.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.91 0.386 . . . . 0.0 111.313 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -160.59 173.78 14.99 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.499 175.466 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.7 mtt -136.01 146.99 47.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.106 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.618 ' HB3' ' HA ' ' A' ' 6' ' ' LYS . 96.3 m-85 -92.67 96.73 10.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.051 178.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -81.81 -16.44 50.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.079 0.466 . . . . 0.0 111.175 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.437 ' HA ' ' HE ' ' A' ' 5' ' ' ARG . 5.8 tpm_? -105.53 -27.58 11.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.725 ' HB2' ' HZ1' ' A' ' 6' ' ' LYS . 4.7 ttmp? 71.95 -78.56 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.963 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t 58.72 83.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.522 0.677 . . . . 0.0 111.667 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.13 27.41 2.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 172.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.19 72.26 0.38 Allowed Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.78 -172.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.41 115.61 2.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.906 2.404 . . . . 0.0 112.679 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -92.37 -1.39 57.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.81 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -107.24 141.74 38.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.362 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -87.57 140.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.279 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -97.09 111.98 23.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.013 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD11 ' HE ' ' A' ' 44' ' ' ARG . 80.3 mt -80.24 159.14 70.96 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 29.6 Cg_endo -63.19 -8.16 13.68 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.934 2.423 . . . . 0.0 113.158 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.27 -16.65 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.179 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.2 -8.65 59.13 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 p -87.49 143.66 27.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 20' ' ' ILE . 2.7 pp -106.03 140.82 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.4 mtp -135.6 137.32 41.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.083 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -97.88 163.56 12.74 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -73.34 54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.888 0.851 . . . . 0.0 110.332 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.94 -32.81 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.744 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.39 -10.09 59.38 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.487 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.07 145.12 97.53 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.055 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.596 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 24.6 Cg_exo -62.31 115.21 2.72 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.488 2.125 . . . . 0.0 111.475 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 6.6 Cg_exo -73.69 73.55 3.5 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.082 2.521 . . . . 0.0 112.276 -176.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.38 -40.15 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.837 0.855 . . . . 0.0 112.086 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 32' ' ' ARG . 20.0 t-20 -152.45 97.79 2.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.328 0.585 . . . . 0.0 109.885 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.596 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 12.6 t -76.95 14.37 0.87 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.062 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' A' ' 30' ' ' ASN . 17.3 ttm180 72.36 -56.51 0.65 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.95 0.9 . . . . 0.0 111.303 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 33' ' ' ARG . 63.4 mtt85 -120.8 105.49 10.78 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.428 0.632 . . . . 0.0 110.482 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.405 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 93.5 m95 -90.12 91.73 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.042 -175.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.2 m -80.37 157.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.057 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -53.75 -47.16 70.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.3 0.375 . . . . 0.0 111.573 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -58.86 -37.09 75.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.522 ' HD3' HG23 ' A' ' 31' ' ' THR . 17.0 ttt180 -81.5 -25.82 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.1 mttt -64.66 -51.05 64.58 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.58 0.705 . . . . 0.0 109.289 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.559 HG23 ' HD2' ' A' ' 44' ' ' ARG . 57.4 mt -56.67 -37.74 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.831 175.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . . . -59.71 -33.84 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.78 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 38' ' ' ARG . 6.7 t -67.72 -50.77 57.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.986 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -64.47 -46.84 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.164 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.559 ' HD2' HG23 ' A' ' 40' ' ' ILE . 2.2 ptm180 -69.21 -32.36 71.57 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.546 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.67 -47.08 63.72 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.31 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 47' ' ' ILE . 27.0 m -75.95 -52.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.692 -177.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.589 HG13 HG23 ' A' ' 46' ' ' VAL . 73.9 mt -71.22 -41.4 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -170.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 54.2 t80 -79.98 -37.16 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.055 0.455 . . . . 0.0 110.692 -177.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.32 -61.9 0.73 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.293 -0.956 . . . . 0.0 115.204 -171.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.67 -75.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -159.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.42 HD11 ' CG ' ' A' ' 55' ' ' GLU . 17.3 pt -124.38 -176.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -161.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.8 p -97.21 178.89 5.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.205 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 41.9 tp -73.21 -20.44 60.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.139 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -59.95 -51.56 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.42 ' CG ' HD11 ' A' ' 51' ' ' ILE . 10.9 tp10 -70.53 -39.12 74.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.931 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -62.3 -19.61 63.47 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.958 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 67.7 mttm -81.99 -45.08 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.146 0.43 . . . . 0.0 110.063 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 65.7 mm-40 -60.22 -40.63 90.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.249 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.2 m -100.96 -49.77 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.013 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.549 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 56.4 m-85 -105.79 18.22 22.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.338 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.81 8.76 1.63 Allowed Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.167 -1.352 . . . . 0.0 115.707 -171.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -6.44 -80.32 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.84 1.256 . . . . 0.0 113.763 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.525 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 12.6 t -129.98 131.57 45.96 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 168.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.16 -44.29 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.352 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -75.2 -31.06 60.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.785 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 22.6 tp10 -57.06 -50.75 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CE1' HD12 ' A' ' 53' ' ' LEU . 25.6 t80 -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.097 0.475 . . . . 0.0 109.772 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.07 -40.52 96.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.882 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 p -68.1 -22.21 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.484 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.495 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.6 m0 -66.93 -53.53 30.95 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.598 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.25 -38.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.33 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.079 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 -24.68 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.665 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 84.7 mt -71.75 -27.16 62.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.393 0.616 . . . . 0.0 109.654 177.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.56 -63.8 1.22 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.5 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 58.76 -81.41 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.296 1.038 . . . . 0.0 112.121 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -130.8 15.96 5.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.012 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 80' ' ' ASP . . . -59.67 -32.08 73.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.137 177.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.9 tttp 72.66 -34.52 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 111.741 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 78' ' ' GLY . 25.8 t0 -80.73 69.1 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.919 0.866 . . . . 0.0 109.448 174.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -95.73 10.64 36.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.903 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.5 mt -95.13 -32.15 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.746 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -112.43 20.64 16.49 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 111.078 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 40.3 t -66.72 122.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.4 p -53.85 -65.02 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.556 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.58 -25.17 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.995 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -82.57 -50.76 8.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -66.28 -31.47 72.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.434 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -66.95 -45.41 77.88 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.829 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.468 ' O ' HD11 ' A' ' 94' ' ' LEU . 34.8 t80 -64.25 -45.82 86.47 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.42 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -62.9 -31.7 72.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -79.73 -38.47 33.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.651 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.59 -20.78 65.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.63 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 90' ' ' TYR . 10.4 mp -89.03 15.1 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.701 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.36 -23.26 63.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.697 0.284 . . . . 0.0 111.171 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -82.67 37.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -170.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -96.98 -68.76 0.78 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 165.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 29.2 t60 49.02 74.64 0.17 Allowed 'General case' 0 N--CA 1.463 0.196 0 O-C-N 124.196 0.935 . . . . 0.0 112.402 164.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -119.28 -40.98 2.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 60.7 -87.47 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.244 0.618 . . . . 0.0 111.574 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.619 -175.699 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 52.3 ttm -73.4 -38.77 65.49 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 111.261 -177.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -139.04 143.15 38.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.349 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp -157.72 -62.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -80.33 77.01 7.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.263 -172.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 tttm 173.14 -32.44 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.4 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -136.03 -171.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.962 -172.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 67.54 -72.86 0.09 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.376 1.048 . . . . 0.0 110.945 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.27 72.8 0.19 Allowed Glycine 0 N--CA 1.438 -1.197 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.21 137.41 56.32 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.29 1.993 . . . . 0.0 110.996 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -63.95 -53.06 56.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.842 -172.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -114.85 155.09 27.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -172.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 m -95.28 133.28 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.181 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -92.77 100.17 12.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.181 0.515 . . . . 0.0 109.696 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.53 HD12 ' HD3' ' A' ' 44' ' ' ARG . 87.5 mt -79.49 158.16 74.06 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.269 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.65 -3.88 3.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.321 2.68 . . . . 0.0 113.572 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -89.03 -2.3 58.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.038 0.447 . . . . 0.0 110.595 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.23 27.49 48.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.062 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -119.41 134.5 55.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.557 0.218 . . . . 0.0 110.585 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.9 103.12 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.479 0.657 . . . . 0.0 109.913 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.1 mtp -104.01 131.31 51.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.589 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -105.5 175.09 5.61 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.2 ttm-85 -58.5 -17.56 22.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.615 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.32 -3.22 55.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.711 0.291 . . . . 0.0 111.654 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.87 -0.05 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.512 . . . . 0.0 110.541 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -98.52 131.52 25.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.293 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.5 Cg_exo -61.74 109.44 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.24 1.96 . . . . 0.0 110.704 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.5 -37.84 96.54 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.82 2.346 . . . . 0.0 112.617 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -174.19 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -135.75 89.22 2.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.693 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.593 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 15.3 t -69.97 161.91 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -38.69 91.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.33 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -145.01 110.78 5.39 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -74.99 87.68 2.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 35.6 m -94.09 172.08 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.385 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.71 73.65 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.349 0.405 . . . . 0.0 111.404 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 m -62.52 -36.0 81.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.854 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -66.51 -47.41 73.04 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.537 177.171 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 27.1 mtpp -55.87 -56.79 16.39 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.433 0.458 . . . . 0.0 111.0 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.15 -39.06 77.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.948 0.404 . . . . 0.0 111.299 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.02 73.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.382 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.681 HG21 ' O ' ' A' ' 38' ' ' ARG . 32.2 t -72.9 -42.08 60.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.556 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.493 HG11 HD13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 109.991 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.53 ' HD3' HD12 ' A' ' 15' ' ' LEU . 4.5 ppt_? -79.49 -5.71 55.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.611 -176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.02 -45.99 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.691 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.8 m -84.46 -43.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.659 177.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.493 HD13 HG11 ' A' ' 43' ' ' VAL . 21.4 mt -64.98 -44.43 96.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.211 -175.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -97.41 -9.42 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.989 0.423 . . . . 0.0 110.24 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.54 -75.04 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.974 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -105.55 -75.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -166.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pp -122.05 -178.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -167.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 p -80.29 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.733 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.9 tp -69.36 -13.67 62.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.88 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -42.15 96.28 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -60.91 -18.72 58.26 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.949 176.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 18.1 ttmt -96.55 -35.19 11.18 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.859 -0.737 . . . . 0.0 110.303 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.73 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.669 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 m -98.92 -54.28 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.507 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 32.6 m-85 -104.51 16.12 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.781 -0.191 . . . . 0.0 110.596 -170.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.677 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -52.29 -38.19 49.08 Favored Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 -170.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 57.44 -82.48 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.592 0.71 . . . . 0.0 109.769 -173.368 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.415 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 35.2 t -158.38 146.75 18.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 172.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.735 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 14.3 t70 -56.46 -42.15 77.72 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.11 -40.19 95.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.77 -62.47 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.561 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -62.07 -35.59 79.1 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 110.29 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.735 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.6 t-20 -60.46 -41.11 93.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.42 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -66.64 -27.39 67.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.952 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.429 ' CZ3' ' HB ' ' A' ' 42' ' ' VAL . 37.0 m0 -64.3 -47.15 80.58 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 109.55 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.427 HG11 HG12 ' A' ' 84' ' ' VAL . 21.8 t -67.4 -37.16 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 t -63.27 -31.47 72.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.661 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.93 -29.67 58.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 110.604 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.21 -5.26 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.348 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HA ' HG13 ' A' ' 84' ' ' VAL . . . -63.25 -51.75 64.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 176.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 63.47 18.69 11.23 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.263 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.556 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 30.2 m170 -120.17 -67.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.949 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 80' ' ' ASP . . . 90.38 123.25 2.59 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.195 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 71.4 mmtt 68.15 -38.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.514 0.726 . . . . 0.0 111.566 -172.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 77' ' ' HIS . 15.0 t70 -84.22 77.83 9.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.73 16.11 7.25 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.457 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.74 -36.13 11.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.622 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 49.9 mttm -104.21 25.22 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.763 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.529 HG13 ' HA ' ' A' ' 75' ' ' ALA . 86.5 t -58.02 128.33 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 35.2 p -48.52 -71.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.12 -23.25 66.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -49.97 10.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -69.5 -29.2 66.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HG3' ' O ' ' A' ' 85' ' ' THR . 65.8 mttm -62.73 -52.73 62.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 174.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.53 ' O ' HD12 ' A' ' 94' ' ' LEU . 3.3 t80 -64.05 -42.56 97.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.538 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -70.3 -40.38 74.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.262 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' A' ' 95' ' ' GLU . 21.2 tp60 -74.74 -33.03 62.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.86 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.99 -22.82 67.06 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 90' ' ' TYR . 10.3 mp -82.5 -9.47 59.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.434 ' HB2' ' NE2' ' A' ' 92' ' ' GLN . 43.5 mt-10 -102.4 134.63 45.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.324 177.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -88.69 39.87 0.94 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.645 0.736 . . . . 0.0 109.386 173.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -79.63 145.61 32.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.201 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -65.06 115.55 5.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.934 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -66.2 135.05 53.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.942 175.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -82.23 71.97 9.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 . . . . . 0 C--O 1.246 0.903 0 O-C-N 123.746 0.654 . . . . 0.0 110.021 -175.367 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.576 0.227 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 52.2 ttm -117.69 141.89 47.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.2 29.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.025 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.4 mt 71.79 -50.67 0.69 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.784 0.834 . . . . 0.0 111.291 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 28.7 ttp180 -136.49 170.13 16.56 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' HB2' ' HG2' ' A' ' 8' ' ' GLU . 7.7 ptpp? -65.3 134.13 52.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.375 0.607 . . . . 0.0 111.335 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.516 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 5.3 t -114.69 23.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.224 1.011 . . . . 0.0 108.552 177.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.629 ' HG2' ' HB2' ' A' ' 6' ' ' LYS . 12.6 pt-20 -80.68 112.14 17.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.432 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 57.66 18.65 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 115.582 -0.736 . . . . 0.0 114.168 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' A' ' 7' ' ' VAL . 47.2 Cg_endo -68.75 120.47 7.39 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.294 1.996 . . . . 0.0 111.567 173.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.27 4.77 53.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.346 0.593 . . . . 0.0 110.956 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -114.0 118.33 33.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.603 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG11 ' HA2' ' A' ' 49' ' ' GLY . 26.3 m -107.43 147.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.14 0.495 . . . . 0.0 111.475 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -101.33 112.95 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.089 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 16' ' ' PRO . 76.4 mt -80.48 155.89 73.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.338 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 14.4 Cg_endo -59.75 -6.02 4.13 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.379 2.719 . . . . 0.0 114.417 -176.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.82 -12.51 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.064 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.13 10.25 61.26 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -98.98 147.17 25.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.391 -0.404 . . . . 0.0 110.525 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 pt -101.97 129.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.939 0.399 . . . . 0.0 110.277 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.3 mmm -126.68 162.09 26.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.255 0.55 . . . . 0.0 110.864 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -163.91 178.4 7.8 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.002 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HD2' ' HB3' ' A' ' 26' ' ' LEU . 15.0 tpt180 -67.36 -18.96 65.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 111.144 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.4 65.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.489 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -90.8 -14.43 31.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.476 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 HD13 ' HD2' ' A' ' 27' ' ' PRO . 1.1 tm? -59.69 121.69 59.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 173.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.559 ' HG2' HG21 ' A' ' 42' ' ' VAL . 4.8 Cg_exo -33.38 109.48 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 124.276 3.317 . . . . 0.0 114.661 -173.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -73.29 58.35 3.62 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 124.226 3.284 . . . . 0.0 113.018 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.39 -71.65 0.11 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.017 0.527 . . . . 0.0 111.514 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.42 -49.32 50.06 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.426 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.4 m 63.61 99.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 173.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 32' ' ' ARG . 3.8 ttm180 -69.04 110.61 4.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 30.7 mmt180 71.14 101.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.954 0.784 . . . . 0.0 112.485 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.86 102.09 12.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.619 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.9 m -98.8 163.41 2.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.139 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.94 73.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -60.04 -37.21 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.0 mtt180 -77.13 -28.13 54.16 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.618 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' O ' HG21 ' A' ' 43' ' ' VAL . 90.7 mttt -54.22 -54.61 37.59 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.78 0.8 . . . . 0.0 108.914 170.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.492 HG21 HD21 ' A' ' 74' ' ' LEU . 49.0 mt -63.01 -35.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.669 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -65.78 -33.78 76.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.928 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 38' ' ' ARG . 30.2 t -70.32 -55.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -58.68 -43.42 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.791 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.422 ' NE ' HG22 ' A' ' 40' ' ' ILE . 72.3 mtm180 -73.58 -35.03 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.802 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.34 -31.64 77.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.203 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 42' ' ' VAL . 26.9 m -91.84 -54.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.268 -0.548 . . . . 0.0 111.583 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.432 ' N ' HG23 ' A' ' 46' ' ' VAL . 82.3 mt -63.4 -45.06 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 111.795 -174.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -96.25 -16.16 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.344 0.592 . . . . 0.0 110.167 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.536 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.49 -73.57 1.02 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.468 -0.872 . . . . 0.0 114.59 -172.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.7 mt -101.63 -76.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -163.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.37 174.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.994 0.426 . . . . 0.0 111.97 -168.715 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -70.82 165.27 23.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.056 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' HA ' ' HB1' ' A' ' 56' ' ' ALA . 51.2 tp -64.54 -19.87 65.88 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.79 72.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.598 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB3' HG13 ' A' ' 51' ' ' ILE . 34.8 tt0 -81.85 -33.98 30.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.091 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 53' ' ' LEU . . . -65.63 -20.83 66.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 177.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -82.12 -45.36 15.29 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -60.85 -44.23 97.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.1 m -95.24 -52.57 4.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 28.0 m-85 -105.36 15.79 26.67 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -171.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.438 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -71.61 -16.95 76.16 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.343 -174.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 34.6 -100.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.862 0.865 . . . . 0.0 112.326 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 42.9 t -110.86 130.11 55.67 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.1 -43.26 77.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 110.058 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -64.45 -34.07 77.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.723 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 31.4 tt0 -66.7 -51.73 52.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.684 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.51 -38.45 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.066 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.0 -42.85 94.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -63.9 -25.53 68.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.445 -175.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.443 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 50.3 m0 -70.57 -45.59 65.12 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 109.968 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.51 -41.22 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.819 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.3 p -69.21 -27.43 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.751 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.73 61.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.409 0.624 . . . . 0.0 109.955 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.492 HD21 HG21 ' A' ' 40' ' ' ILE . 93.6 mt -78.73 -39.98 34.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.121 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.81 69.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.787 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 71.19 -52.92 0.68 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.657 0.783 . . . . 0.0 110.543 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -86.76 93.96 9.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.844 172.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.67 62.88 2.74 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.173 -0.537 . . . . 0.0 111.961 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.554 ' HZ2' ' HB2' ' A' ' 79' ' ' LYS . 4.0 ttmp? -163.84 -54.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 109.841 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.07 -73.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.973 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . 60.4 19.02 8.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.686 176.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -88.0 -46.03 9.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.087 0.47 . . . . 0.0 110.201 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.77 5.94 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.886 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.0 t -72.78 111.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.411 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -47.86 -51.88 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.865 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -88.6 -46.88 8.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -61.93 -38.33 88.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.245 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.55 -43.14 70.13 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.51 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 23.9 t80 -60.13 -46.66 88.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.005 0.431 . . . . 0.0 110.155 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.0 -45.56 73.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.494 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.4 -42.5 98.82 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.172 0.511 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.02 -46.11 85.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.829 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 75.3 mt -73.99 -15.89 61.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.617 -177.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' HA ' ' OE1' ' A' ' 95' ' ' GLU . 5.0 tp10 -74.42 -13.55 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.869 0.366 . . . . 0.0 110.306 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 69.54 0.17 2.84 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.548 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -82.38 81.59 8.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -106.61 -46.12 4.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.566 -166.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.9 m80 64.85 105.97 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.711 0.632 . . . . 0.0 111.835 -175.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -96.52 -11.54 25.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.281 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.1 t60 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.324 178.052 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 111.087 0.032 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 68.8 mtm 72.17 -59.99 0.54 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.434 0.694 . . . . 0.0 111.749 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -128.14 138.86 52.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.675 0.274 . . . . 0.0 110.386 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -139.61 -54.09 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.695 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -77.71 82.35 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 110.318 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -171.52 -33.0 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 23.9 t -81.06 165.61 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.011 169.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 44.6 mt-10 79.54 -32.67 0.14 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.432 0.693 . . . . 0.0 110.44 -175.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.1 65.82 0.43 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.438 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -72.11 39.28 0.39 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.942 2.428 . . . . 0.0 112.604 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -88.95 -0.72 57.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.238 0.542 . . . . 0.0 109.979 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -69.2 107.21 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.675 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG13 ' HA2' ' A' ' 49' ' ' GLY . 18.1 m -79.62 136.74 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.761 -170.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -96.23 104.94 16.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.557 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 19' ' ' SER . 57.1 mt -61.73 133.69 93.67 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.507 177.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 36.5 Cg_exo -59.36 -10.48 10.96 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.05 2.5 . . . . 0.0 112.07 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.73 -22.52 40.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.42 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.3 55.4 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.324 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.856 ' HB2' HD11 ' A' ' 15' ' ' LEU . 11.9 m -152.47 149.94 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.978 0.418 . . . . 0.0 110.188 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.06 119.64 59.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.927 -176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.0 mmm -120.26 140.6 50.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.995 0.426 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -164.19 -178.37 5.5 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.478 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.0 -17.58 64.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.705 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.04 -14.14 39.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 111.415 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -106.24 -21.03 13.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.143 0.496 . . . . 0.0 110.46 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.559 HD21 ' HA3' ' A' ' 45' ' ' GLY . 84.9 mt -74.96 128.28 85.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.913 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.555 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 86.1 Cg_exo -52.53 117.71 3.94 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 111.187 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.26 -40.53 69.63 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.636 2.891 . . . . 0.0 113.457 -173.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.47 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.728 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.471 ' HA ' ' HZ2' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -153.95 93.92 1.7 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.932 175.216 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.564 HG23 ' HD3' ' A' ' 38' ' ' ARG . 15.4 t -69.83 172.55 7.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.562 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -89.48 108.18 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 69.97 94.12 0.08 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.791 -175.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.471 ' HZ2' ' HA ' ' A' ' 30' ' ' ASN . 82.2 m95 -73.49 80.27 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.646 176.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 38' ' ' ARG . 27.1 m -74.58 159.96 5.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.7 -44.8 81.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 0.0 111.569 -174.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -65.69 -32.0 73.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HD3' HG23 ' A' ' 31' ' ' THR . 8.2 ttt180 -73.87 -32.8 63.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.129 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.503 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 93.8 mttt -66.74 -46.29 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 109.717 174.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.581 HG21 HD23 ' A' ' 74' ' ' LEU . 85.7 mt -58.58 -36.97 62.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.641 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.13 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.69 -53.71 38.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.529 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -43.39 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' HE ' HD13 ' A' ' 15' ' ' LEU . 17.6 mtp180 -62.81 -43.64 98.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.792 0.33 . . . . 0.0 110.459 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.559 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -69.63 -37.96 77.71 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.8 -0.637 . . . . 0.0 113.411 -177.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 42' ' ' VAL . 26.8 m -78.45 -58.03 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 117.524 0.662 . . . . 0.0 111.174 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.489 ' N ' HG23 ' A' ' 46' ' ' VAL . 71.9 mt -59.62 -52.29 62.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 O-C-N 123.602 0.564 . . . . 0.0 112.151 -171.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.418 ' CD2' HD21 ' A' ' 15' ' ' LEU . 79.2 t80 -92.9 -18.6 22.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.314 0.578 . . . . 0.0 110.725 -175.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -92.93 -74.2 1.26 Allowed Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.969 -172.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.99 -75.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -165.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.688 ' H ' HD12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -114.72 167.88 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.152 0.501 . . . . 0.0 111.793 -167.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.0 p -76.78 169.84 17.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.262 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.12 -23.69 66.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.471 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.17 13.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.006 0.431 . . . . 0.0 110.732 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.546 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -61.37 -40.95 96.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.505 0.669 . . . . 0.0 109.65 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -11.66 60.5 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.154 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 29.3 ttpp -93.56 -44.76 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.83 0.348 . . . . 0.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.49 -27.07 62.97 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.797 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.7 m -100.26 -56.17 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.764 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.485 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 24.7 m-85 -105.63 16.39 25.45 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 122.3 -0.25 . . . . 0.0 111.435 -174.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -60.93 -24.59 62.91 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.475 -171.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 54.6 -91.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.21 0.529 . . . . 0.0 110.362 -177.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 50.1 m -148.31 146.09 28.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -54.77 -42.5 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.493 0.187 . . . . 0.0 111.476 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.3 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.01 -57.94 10.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.576 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.33 -40.33 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.694 -175.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.72 -34.64 74.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -62.49 -34.82 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.647 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.503 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 18.5 m0 -65.75 -51.07 62.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.54 . . . . 0.0 109.734 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.446 HG13 HG12 ' A' ' 84' ' ' VAL . 23.2 t -65.94 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.455 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -67.06 -29.88 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.32 56.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 109.905 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.581 HD23 HG21 ' A' ' 40' ' ' ILE . 97.4 mt -80.56 -2.97 48.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.843 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 84' ' ' VAL . . . -76.45 -27.26 56.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.524 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 68.32 -60.54 0.42 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 124.173 0.92 . . . . 0.0 109.794 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -105.69 88.73 2.9 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 171.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.94 44.03 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.977 -172.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -118.03 -37.27 3.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.788 0.327 . . . . 0.0 110.825 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.8 m-20 -85.52 -32.24 22.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.848 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.81 -18.95 0.37 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.435 0.694 . . . . 0.0 112.293 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 80' ' ' ASP . 4.0 mm? -82.81 3.79 28.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.067 0.461 . . . . 0.0 110.874 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -125.13 8.84 7.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.042 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 75' ' ' ALA . 52.6 t -61.49 112.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 22.9 m -55.73 -52.32 64.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.393 0.433 . . . . 0.0 111.761 -174.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.71 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 111.791 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -90.11 -40.44 12.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -173.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -61.74 -33.89 74.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.259 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 85' ' ' THR . 30.5 mtpp -70.64 -48.68 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.316 176.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.615 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 5.6 t80 -59.85 -51.28 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.628 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -57.34 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.51 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.96 -35.86 82.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.7 tp -78.86 -11.82 60.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.096 0.474 . . . . 0.0 111.174 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 80.1 mt -83.8 -3.45 57.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.474 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.24 102.64 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 111.047 178.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -175.66 -144.79 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.237 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -52.56 151.06 4.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 0.0 110.491 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -63.52 127.32 30.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.34 -171.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -104.83 9.99 34.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.339 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -179.9 -53.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.748 -1.12 . . . . 0.0 108.665 170.674 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.439 ' HB3' HG22 ' A' ' 22' ' ' THR . 3.4 p -130.21 145.24 51.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 0.0 111.492 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 20' ' ' ILE . 11.3 m -102.47 152.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.07 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' SER . 22.4 m -103.79 127.19 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.849 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 44' ' ' ARG . 45.6 mt -73.77 160.14 82.71 Favored Pre-proline 0 C--N 1.318 -0.798 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.56 -28.42 21.86 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.661 2.241 . . . . 0.0 112.848 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -154.58 21.78 0.47 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.866 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.71 34.61 3.26 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.746 -1.216 . . . . 0.0 114.499 -169.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 14' ' ' THR . 13.5 t 59.06 -162.17 0.25 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.855 0.36 . . . . 0.0 111.032 173.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 31.8 pt -102.09 140.78 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.325 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.0 ttp -138.45 148.7 44.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 12' ' ' SER . 48.0 p -98.25 178.36 5.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.253 0.549 . . . . 0.0 111.662 -175.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 50' ' ' LEU . 87.7 mtm180 -81.26 2.74 26.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.14 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.55 -23.34 15.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.852 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.36 8.22 39.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.446 0.641 . . . . 0.0 111.112 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.77 123.27 89.19 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.727 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HG2' HG22 ' A' ' 42' ' ' VAL . 31.6 Cg_exo -60.3 111.5 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.628 2.219 . . . . 0.0 110.971 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 2.9 Cg_exo -75.65 49.55 2.46 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.301 2.667 . . . . 0.0 112.675 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.54 -45.82 0.63 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.848 0.859 . . . . 0.0 111.769 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -71.25 -74.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 32' ' ' ARG . 2.2 m 60.48 -170.76 0.14 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.728 ' H ' HG22 ' A' ' 31' ' ' THR . 47.7 mtt180 -118.21 -73.9 0.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.777 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -112.2 121.92 46.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.504 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 96.1 m95 -85.21 93.82 8.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG23 ' H ' ' A' ' 38' ' ' ARG . 35.4 m -90.77 167.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.97 8.37 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.11 0.256 . . . . 0.0 111.493 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.5 t -57.11 -34.28 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.883 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 6.4 tpm_? -68.93 -43.42 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.301 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 34' ' ' TRP . 95.1 mttt -68.64 -50.46 51.11 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.913 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 HD21 ' A' ' 74' ' ' LEU . 1.7 mp -58.73 -34.34 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.625 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.84 73.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.489 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' HG2' ' A' ' 27' ' ' PRO . 11.9 t -67.08 -59.19 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -59.27 -42.83 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.074 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HB3' HD22 ' A' ' 15' ' ' LEU . 53.7 mtt180 -70.35 -37.11 74.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.908 0.385 . . . . 0.0 110.562 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.42 -50.64 30.94 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.825 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG23 HG13 ' A' ' 47' ' ' ILE . 30.0 m -69.85 -49.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.733 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 HG23 ' A' ' 46' ' ' VAL . 67.5 mt -73.12 -44.6 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.873 -172.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -91.12 -26.73 18.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.012 0.434 . . . . 0.0 110.887 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.06 -53.27 1.03 Allowed Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.413 -0.899 . . . . 0.0 114.266 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 23' ' ' ARG . 3.7 mm? -105.68 -76.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -165.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -131.66 -172.84 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.339 0.59 . . . . 0.0 112.23 -164.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.9 p -86.1 171.14 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.384 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 34.3 tp -72.4 -12.08 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.926 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -51.93 57.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.169 0.509 . . . . 0.0 109.84 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.49 ' HB2' HG13 ' A' ' 51' ' ' ILE . 74.8 mm-40 -73.84 -39.56 63.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.544 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -66.32 -18.53 65.41 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.739 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 5.8 ttpm? -89.84 -38.46 13.74 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.468 176.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.67 -36.36 70.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.653 0.263 . . . . 0.0 111.111 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -92.16 -57.46 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 56' ' ' ALA . 38.5 m-85 -105.21 15.27 27.72 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -171.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -73.62 -19.84 79.75 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.876 -171.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.559 HD21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 36.75 -102.76 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.599 0.759 . . . . 0.0 112.045 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 20.3 m -113.14 133.77 54.87 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 171.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.84 -40.04 91.34 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.259 -0.177 . . . . 0.0 111.324 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.5 -33.63 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 60.8 tt0 -61.81 -48.43 80.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.926 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -60.3 -41.45 93.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.035 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.99 -38.94 90.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.105 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 m -63.54 -28.9 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.559 ' HH2' HD21 ' A' ' 62' ' ' LEU . 45.4 m0 -69.93 -47.37 62.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.255 0.55 . . . . 0.0 109.623 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.24 -38.58 82.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.3 t -61.88 -35.73 79.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.43 -30.54 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.239 0.543 . . . . 0.0 110.243 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD21 HG13 ' A' ' 40' ' ' ILE . 93.4 mt -84.08 -11.59 56.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.473 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.53 -56.74 4.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 67.6 -61.22 0.37 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.886 0.741 . . . . 0.0 110.883 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -101.47 112.38 24.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.01 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.94 54.03 0.68 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.984 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -88.28 -48.73 7.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.396 0.617 . . . . 0.0 109.482 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.3 m-20 -87.15 -35.03 18.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.91 -12.99 0.36 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.886 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' A' ' 91' ' ' ARG . 48.5 tp -104.68 -9.64 18.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.297 0.57 . . . . 0.0 109.791 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -86.93 7.17 28.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.04 123.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 m -44.54 -54.44 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.37 68.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.026 0.441 . . . . 0.0 111.782 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.51 -39.64 13.19 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.47 -39.0 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.924 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 28.6 mmtp -72.31 -41.89 66.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -69.42 -14.98 63.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 111.084 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.503 ' HG2' HD11 ' A' ' 82' ' ' LEU . 18.3 tpt85 -99.99 -44.8 5.9 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.158 -0.338 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -70.6 -36.25 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.359 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.3 tp . . . . . 0 N--CA 1.465 0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.719 -175.48 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.3 mmt180 . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 p -92.69 108.91 20.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.136 172.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG11 ' HA3' ' A' ' 49' ' ' GLY . 25.6 m -92.85 148.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.458 . . . . 0.0 111.563 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 m -98.52 115.75 29.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.032 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 19' ' ' SER . 88.2 mt -82.86 160.9 59.87 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.436 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 57.4 Cg_endo -69.9 -3.56 12.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.661 2.24 . . . . 0.0 112.841 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.1 1.39 28.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.29 -10.2 56.46 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.062 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.554 ' HB2' HD12 ' A' ' 15' ' ' LEU . 17.1 m -75.38 129.18 36.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.371 . . . . 0.0 111.608 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 pt -101.55 105.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 172.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.7 ttp -114.58 128.68 56.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.396 -174.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 2.4 m -92.89 168.23 11.3 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.774 ' HA ' HD23 ' A' ' 26' ' ' LEU . 68.1 ttp85 -64.43 -6.1 6.6 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.272 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -20.51 65.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.986 0.422 . . . . 0.0 110.448 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' A' ' 21' ' ' MET . 5.5 m-20 -99.16 -5.05 30.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.808 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 23' ' ' ARG . 4.6 mm? -85.08 114.62 57.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.15 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.594 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 16.7 Cg_exo -69.23 110.63 2.49 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 123.085 2.523 . . . . 0.0 111.721 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -62.09 -46.91 11.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.372 2.048 . . . . 0.0 111.413 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -170.63 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.153 176.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -116.43 79.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.117 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 13.8 t -83.15 178.94 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.637 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -82.24 75.84 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.608 0.242 . . . . 0.0 110.685 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 69.76 134.8 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 124.233 0.958 . . . . 0.0 111.837 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.404 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 98.4 m95 -82.53 78.1 9.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 38' ' ' ARG . 34.6 m -84.25 177.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.162 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.1 83.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.342 . . . . 0.0 111.378 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 m -61.6 -30.46 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.783 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -75.43 -44.74 42.89 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.897 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -55.69 -55.4 32.65 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.276 0.56 . . . . 0.0 111.208 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG22 ' HD2' ' A' ' 44' ' ' ARG . 45.1 mt -66.21 -29.18 45.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.631 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.45 94.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.967 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.657 ' O ' HG22 ' A' ' 46' ' ' VAL . 11.7 t -62.85 -57.86 10.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -60.92 -38.53 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HD2' HG22 ' A' ' 40' ' ' ILE . 29.1 mtt180 -63.97 -51.88 62.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.791 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA3' HD11 ' A' ' 26' ' ' LEU . . . -61.17 -50.76 63.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.929 -175.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 42' ' ' VAL . 22.3 m -66.8 -64.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.993 0.397 . . . . 0.0 111.448 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.617 HG13 HG23 ' A' ' 46' ' ' VAL . 42.4 mt -62.13 -43.35 97.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 122.748 0.419 . . . . 0.0 112.013 -168.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -88.56 -40.37 13.43 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.467 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' HA3' HG11 ' A' ' 13' ' ' VAL . . . -101.15 -52.65 1.06 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.277 -0.963 . . . . 0.0 114.579 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.59 -75.27 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -166.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 55' ' ' GLU . 2.0 pp -141.21 168.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -70.99 169.45 14.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.384 0.611 . . . . 0.0 111.105 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.26 -28.55 69.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.95 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.73 79.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.065 0.46 . . . . 0.0 110.45 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.55 ' HB2' HD13 ' A' ' 51' ' ' ILE . 7.4 mm-40 -72.59 -44.08 62.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -55.43 -49.66 71.83 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.194 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -55.71 -47.32 77.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.644 0.259 . . . . 0.0 110.571 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -60.85 -42.36 97.67 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.0 m -100.29 -53.2 3.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 112.064 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 32.5 m-85 -105.53 15.63 26.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.049 -173.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -72.35 -23.5 77.84 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.213 -175.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 44.05 -97.95 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.526 0.73 . . . . 0.0 111.214 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -115.94 127.33 54.88 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 166.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.44 -40.72 62.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 123.293 0.37 . . . . 0.0 110.829 -174.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.23 -36.15 83.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.262 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.96 -51.78 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -62.81 -45.97 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.398 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.41 -37.07 72.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.71 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -62.68 -35.97 81.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -66.08 -46.89 76.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.16 0.505 . . . . 0.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.64 -42.46 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.015 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -62.31 -35.72 79.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.509 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.37 72.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -77.28 -27.76 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.522 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.556 ' HA ' HG21 ' A' ' 84' ' ' VAL . . . -85.73 8.13 20.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.239 -175.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.8 58.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.9 p80 58.73 16.53 4.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.349 176.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.74 10.13 50.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 13.9 tmtt? -92.56 -45.97 7.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.983 0.42 . . . . 0.0 110.536 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.59 24.9 9.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.212 0.53 . . . . 0.0 110.674 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.88 -6.88 13.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.734 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -99.54 0.98 43.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD2' ' O ' ' A' ' 83' ' ' LYS . 3.4 tmmm? -114.37 -34.84 5.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.826 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 75' ' ' ALA . 40.7 t -59.5 114.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.596 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -55.34 -43.32 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.26 82.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.148 0.499 . . . . 0.0 111.538 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.66 -41.46 14.2 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -59.08 -36.37 74.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.014 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -64.54 -52.11 59.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -57.96 -45.67 86.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 91' ' ' ARG . 6.6 tpt180 -66.89 -41.6 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.204 -176.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -77.87 -27.86 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.028 0.442 . . . . 0.0 110.624 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.5 tp . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 178.299 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 p -162.16 157.14 22.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.524 HG11 ' HA2' ' A' ' 49' ' ' GLY . 2.3 m -112.84 118.61 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.467 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.647 ' HA ' ' O ' ' A' ' 19' ' ' SER . 23.9 m -77.9 115.54 17.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.392 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 18' ' ' GLY . 37.6 mt -66.4 154.34 90.9 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.6 -30.79 9.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.312 2.674 . . . . 0.0 112.622 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -142.39 11.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 15' ' ' LEU . . . -116.47 24.78 9.55 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.584 -1.293 . . . . 0.0 114.286 -166.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.647 ' O ' ' HA ' ' A' ' 14' ' ' THR . 61.1 m 62.46 -172.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.976 0.417 . . . . 0.0 111.602 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 20' ' ' ILE . 12.1 pt -76.82 106.62 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.39 0.614 . . . . 0.0 110.643 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.4 ttt -96.13 124.22 40.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.773 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -102.34 160.66 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -72.02 -5.58 36.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.011 0.434 . . . . 0.0 110.707 -178.31 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.71 -13.97 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.093 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.02 -0.93 57.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' A' ' 23' ' ' ARG . 79.8 mt -81.65 129.08 66.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.745 -175.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.666 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 71.7 Cg_exo -49.07 125.02 12.47 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.875 3.05 . . . . 0.0 112.362 171.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.73 41.13 0.77 Allowed 'Trans proline' 0 N--CA 1.472 0.236 0 C-N-CA 123.459 2.773 . . . . 0.0 113.204 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.58 -60.43 0.47 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.757 0.661 . . . . 0.0 111.191 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -94.53 48.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.29 0.567 . . . . 0.0 109.883 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.666 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.3 m -51.21 131.67 28.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.954 177.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -84.2 -11.55 56.33 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.98 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.4 mpt_? -126.15 85.85 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.408 176.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -89.09 66.83 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.98 0.419 . . . . 0.0 110.642 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 m -80.17 159.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -55.46 -49.28 72.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.191 0.307 . . . . 0.0 110.942 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m -58.59 -28.05 65.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.656 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 42' ' ' VAL . 18.8 ttm180 -81.69 -44.78 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.335 -0.228 . . . . 0.0 111.251 -176.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' HG23 ' A' ' 42' ' ' VAL . 14.8 ptpt -68.38 -33.37 74.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.876 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 74' ' ' LEU . 29.4 mm -62.77 -35.7 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.088 0.47 . . . . 0.0 110.085 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.67 69.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 27' ' ' PRO . 28.4 t -61.33 -54.35 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -60.2 -41.28 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.153 178.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 44' ' ' ARG . 53.2 mtt180 -62.71 -47.35 84.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.712 0.291 . . . . 0.0 110.625 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.4 -38.1 93.29 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.289 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.579 HG23 HG13 ' A' ' 47' ' ' ILE . 28.1 m -78.76 -59.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.421 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.579 HG13 HG23 ' A' ' 46' ' ' VAL . 70.2 mt -65.58 -47.78 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.021 0.439 . . . . 0.0 111.872 -172.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -85.0 -25.04 27.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.353 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.524 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.21 -75.33 1.13 Allowed Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.5 -0.857 . . . . 0.0 115.036 -169.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 23' ' ' ARG . 8.0 mp -106.31 -76.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -162.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.24 173.84 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.55 . . . . 0.0 112.33 -166.018 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -79.69 171.42 15.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.374 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 67' ' ' PHE . 35.0 tp -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.198 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.54 -53.81 53.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.5 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -64.24 -43.85 93.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 0.0 109.815 -179.384 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.43 -9.68 57.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.735 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -94.55 -44.78 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.362 . . . . 0.0 110.364 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 -30.56 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.67 0.272 . . . . 0.0 110.923 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.4 m -100.25 -54.4 2.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.9 m-85 -106.1 17.09 24.06 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.7 -29.49 49.41 Favored Glycine 0 C--N 1.331 0.266 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 -169.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 52.25 -91.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 121.681 0.753 . . . . 0.0 110.531 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 40.3 m -148.05 144.4 27.87 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.43 -47.92 72.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.988 0.18 . . . . 0.0 111.472 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 3.1 tp10 -62.89 -35.84 81.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 111.225 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.28 -54.79 43.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 53' ' ' LEU . 38.2 t80 -62.08 -38.85 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.547 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -57.99 -41.13 82.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.0 m -61.81 -34.56 76.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.02 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -64.78 -54.81 25.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 109.92 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.69 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.932 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 t -63.67 -34.41 77.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 110.675 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.85 -32.94 46.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.115 0.483 . . . . 0.0 110.294 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 40' ' ' ILE . 89.3 mt -79.0 -19.45 51.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.949 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.86 -11.43 59.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.356 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.24 -67.36 0.22 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.353 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -88.28 -44.87 10.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.902 0.382 . . . . 0.0 110.566 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.46 -142.23 33.59 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 69.16 -65.68 0.28 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.649 0.78 . . . . 0.0 111.387 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.415 ' OD2' ' HD2' ' A' ' 83' ' ' LYS . 10.6 t70 -84.96 -55.84 3.86 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.515 -177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 67.99 1.0 2.57 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.235 -0.893 . . . . 0.0 113.011 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.0 tp -88.67 -35.04 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.045 0.45 . . . . 0.0 110.447 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD2' ' OD2' ' A' ' 80' ' ' ASP . 8.3 mptt -93.92 5.52 51.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.43 125.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -51.79 -47.86 64.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.79 70.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 87' ' ' LEU . 2.7 tm? -89.67 -38.7 13.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -173.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.18 -45.91 75.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.8 174.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 36.6 mtpt -67.1 -41.42 86.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.75 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -57.42 -51.79 67.99 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.404 0.44 . . . . 0.0 110.434 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -69.41 -45.35 69.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.59 -29.04 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 120.541 0.21 . . . . 0.0 110.722 178.857 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.466 ' HB2' HG22 ' A' ' 22' ' ' THR . 20.8 t -136.03 145.22 45.82 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.613 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.3 m -116.37 139.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.58 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -93.91 107.52 19.41 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.01 139.72 88.05 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.07 -6.54 5.11 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 123.115 2.543 . . . . 0.0 111.479 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.48 -24.91 62.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.771 176.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.81 1.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.675 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -159.04 135.54 9.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 pt -91.2 127.74 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.302 0.572 . . . . 0.0 110.546 176.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.7 mmm -122.67 142.39 50.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 12' ' ' SER . 66.6 p -114.64 171.4 7.66 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -31.27 70.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.25 62.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.933 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -76.9 -23.28 52.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.41 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.534 HD21 ' HA3' ' A' ' 45' ' ' GLY . 91.7 mt -70.28 131.95 88.24 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.489 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.642 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 19.1 Cg_exo -38.41 119.05 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 124.318 3.346 . . . . 0.0 113.322 176.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.24 47.72 2.11 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.36 2.707 . . . . 0.0 112.915 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.97 -51.53 0.68 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.742 0.817 . . . . 0.0 111.743 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -64.79 -77.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 4.8 m 65.22 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.995 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -86.56 108.97 18.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.012 0.434 . . . . 0.0 111.612 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 34' ' ' TRP . 30.4 ttp180 76.61 -35.37 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.863 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.48 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 81.5 m95 68.74 100.23 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.029 0.442 . . . . 0.0 111.776 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' ARG . 26.9 m -90.74 154.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -60.94 -40.39 93.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.9 t -58.36 -34.57 70.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.802 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.9 ttm-85 -80.39 -30.06 37.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.688 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 24.7 mtpp -64.71 -46.93 80.19 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.444 HG23 HD21 ' A' ' 74' ' ' LEU . 74.9 mt -62.58 -31.95 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.5 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.28 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.197 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -67.37 -55.79 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.831 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.471 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -58.49 -41.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.744 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 48' ' ' TYR . 72.1 mtm180 -71.14 -33.79 70.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.804 0.335 . . . . 0.0 110.694 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.534 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.82 -47.96 36.9 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.819 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 47' ' ' ILE . 29.5 m -72.92 -50.76 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 122.677 -0.308 . . . . 0.0 111.798 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.614 HG13 HG23 ' A' ' 46' ' ' VAL . 84.5 mt -72.34 -40.75 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 111.838 -172.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.553 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 88.4 t80 -88.75 -26.75 21.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 0.0 111.076 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.45 -57.28 0.84 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.611 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB3' HG23 ' A' ' 51' ' ' ILE . 3.5 mm? -106.1 -75.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -164.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -135.16 -173.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.115 0.483 . . . . 0.0 112.289 -164.558 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.469 ' HB ' ' OH ' ' A' ' 90' ' ' TYR . 44.8 p -90.04 177.74 6.38 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.224 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 67' ' ' PHE . 46.3 tp -70.78 -19.81 62.66 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.592 0.234 . . . . 0.0 110.753 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.37 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HB2' HG13 ' A' ' 51' ' ' ILE . 4.7 mp0 -70.7 -38.93 73.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.141 0.496 . . . . 0.0 110.125 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -72.23 -6.63 44.3 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.352 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.436 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 37.2 ttmt -92.82 -41.11 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -58.48 -44.4 89.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.034 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 m -96.68 -53.38 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.905 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 44.1 m-85 -106.93 16.52 24.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -171.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -55.96 -37.44 70.64 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 50.3 -92.53 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 -174.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.405 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 22.6 m -143.02 147.13 34.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.139 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.11 -48.38 81.93 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.782 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.03 -38.09 78.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.14 -61.8 2.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.456 ' CE1' HD13 ' A' ' 53' ' ' LEU . 28.7 t80 -60.28 -42.38 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -65.46 -30.59 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.2 t -62.91 -32.73 74.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.471 ' HE3' HG13 ' A' ' 43' ' ' VAL . 21.6 m0 -68.65 -49.24 60.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 109.986 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.35 -38.42 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.27 -34.16 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.939 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -32.97 65.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.179 0.514 . . . . 0.0 110.269 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD21 HG23 ' A' ' 40' ' ' ILE . 96.5 mt -79.48 -10.65 59.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.647 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -97.3 7.06 47.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.777 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 8.0 tp10 70.2 -82.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.614 0.571 . . . . 0.0 109.782 -176.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -135.11 -2.7 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.304 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.06 -82.07 0.54 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.188 -0.53 . . . . 0.0 112.18 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 69.96 -66.57 0.27 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.505 1.122 . . . . 0.0 111.559 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.16 -36.33 9.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.398 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 64.34 20.11 12.04 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.652 0.595 . . . . 0.0 110.956 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -108.71 -33.25 7.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.538 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -104.09 5.77 35.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.092 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.09 105.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.327 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.4 m -45.4 -59.6 2.6 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.826 0.704 . . . . 0.0 112.875 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.64 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.86 -42.36 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -174.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -60.51 -38.17 83.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.848 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -74.37 -38.35 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.468 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.469 ' OH ' ' HB ' ' A' ' 52' ' ' THR . 70.3 t80 -61.64 -31.11 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.02 0.438 . . . . 0.0 110.7 177.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -89.77 -40.67 12.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.14 -26.32 63.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.817 0.342 . . . . 0.0 111.45 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 121.374 0.607 . . . . 0.0 110.261 177.009 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-O 121.272 0.558 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -140.21 136.39 33.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.901 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.76 136.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.02 -176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -100.18 110.06 22.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.798 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD13 HH11 ' A' ' 44' ' ' ARG . 91.1 mt -81.77 146.84 57.23 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.014 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -62.84 -3.53 4.73 Favored 'Trans proline' 0 N--CA 1.478 0.59 0 C-N-CA 123.334 2.69 . . . . 0.0 113.583 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.14 -1.32 57.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.03 39.57 10.02 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 128.06 36.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.62 126.74 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.084 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.9 mtp -120.8 143.85 48.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.708 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -101.45 177.85 4.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.865 0.365 . . . . 0.0 110.326 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' A' ' 50' ' ' LEU . 34.6 ttp-105 -73.84 -1.92 21.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.993 0.425 . . . . 0.0 110.855 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.55 0.44 20.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.163 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.59 0.37 55.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.754 0.311 . . . . 0.0 111.504 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HA3' ' A' ' 45' ' ' GLY . 78.6 mt -83.43 134.04 46.09 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.639 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 84.4 Cg_exo -51.48 111.55 0.61 Allowed 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.967 2.445 . . . . 0.0 112.132 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 31.4 Cg_exo -60.99 -48.56 10.09 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.046 2.498 . . . . 0.0 112.745 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -172.49 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.769 0.795 . . . . 0.0 109.873 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.49 -46.07 12.89 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.396 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.639 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 32.4 m 69.63 120.88 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.982 0.802 . . . . 0.0 111.012 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 4.6 ttp180 -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -157.37 115.56 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.817 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -78.86 116.92 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 38' ' ' ARG . 35.3 m -119.98 173.87 5.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 168.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.36 99.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.862 0.363 . . . . 0.0 110.68 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -66.56 -24.18 66.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.179 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HD2' ' HG3' ' A' ' 27' ' ' PRO . 19.5 tpp180 -72.73 -40.69 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.145 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.4 mttt -65.95 -45.12 82.94 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.186 0.517 . . . . 0.0 110.479 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.09 -35.62 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.227 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.41 -30.77 71.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.316 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG22 ' HG2' ' A' ' 27' ' ' PRO . 18.9 t -66.02 -55.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -62.88 -35.53 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.537 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.843 HH11 HD13 ' A' ' 15' ' ' LEU . 49.6 mtt180 -66.62 -48.98 67.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.097 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.553 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -67.15 -30.27 75.49 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.534 -174.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 47' ' ' ILE . 27.5 m -84.33 -57.75 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 HG23 ' A' ' 46' ' ' VAL . 82.6 mt -67.15 -47.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.97 0.414 . . . . 0.0 111.961 -172.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -90.8 -16.13 28.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.205 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.83 -75.32 1.11 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.282 -0.961 . . . . 0.0 114.567 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' HG3' ' A' ' 23' ' ' ARG . 68.9 mt -107.56 -76.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -163.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.652 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -119.49 -174.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.11 0.481 . . . . 0.0 112.293 -165.452 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -86.43 171.88 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.134 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.57 -22.37 66.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.375 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.46 -58.12 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' HG13 ' A' ' 51' ' ' ILE . 24.4 tp10 -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.101 0.476 . . . . 0.0 110.513 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.47 69.34 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.347 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.509 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.6 ttpp -83.27 -41.71 18.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.015 0.436 . . . . 0.0 110.254 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.49 -38.1 86.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -97.45 -57.31 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.714 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -98.61 15.0 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.43 -173.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -76.22 -10.73 85.34 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.563 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.491 HD11 ' CH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 41.9 -97.34 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.507 0.723 . . . . 0.0 111.69 178.554 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.5 p -120.8 143.54 48.79 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.81 -37.22 70.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.887 0.375 . . . . 0.0 111.192 -172.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.33 -34.69 65.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.581 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -64.08 -46.47 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.351 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.29 -41.78 99.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.974 0.416 . . . . 0.0 110.05 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -69.01 -27.18 65.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -61.87 -40.13 94.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.323 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.491 ' CH2' HD11 ' A' ' 62' ' ' LEU . 28.2 m0 -62.97 -52.0 64.7 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 109.962 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.28 -37.19 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.707 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 m -65.29 -36.66 84.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.53 58.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.375 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.9 mt -80.74 -8.92 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.584 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.94 -12.81 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.191 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 67.16 -57.59 0.42 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.322 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -82.83 -57.19 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.323 0.582 . . . . 0.0 110.173 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 10.72 85.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.601 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 43.1 mtpt -115.29 -39.09 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.451 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.86 -47.82 64.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.732 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 57.81 21.01 7.04 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.607 0.567 . . . . 0.0 111.254 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.99 -41.06 4.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 -172.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 83.6 tttt -109.74 24.53 12.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.584 0.707 . . . . 0.0 110.528 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.1 t -76.07 97.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.4 m -54.42 -49.24 70.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.505 0.503 . . . . 0.0 112.023 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.2 80.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.014 0.435 . . . . 0.0 111.75 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -86.63 -45.61 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -173.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.69 -32.88 74.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.592 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -67.93 -50.29 56.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -54.36 -52.06 62.81 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.952 0.783 . . . . 0.0 110.436 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -60.14 -51.27 70.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -85.63 0.41 52.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 111.742 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.321 -0.631 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 173.237 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HE ' ' HA ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 120.966 0.413 . . . . 0.0 110.585 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' MET . 25.5 t -113.3 140.03 48.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 175.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.558 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.3 m -130.73 150.22 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.587 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -96.79 103.78 15.72 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.13 141.4 97.39 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.353 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HG2' HG21 ' A' ' 85' ' ' THR . 27.8 Cg_exo -62.79 -6.12 8.61 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.059 2.506 . . . . 0.0 111.79 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -78.29 -20.44 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.055 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.99 39.95 2.77 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.906 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -139.16 133.13 31.02 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.689 0.28 . . . . 0.0 110.604 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 pt -92.32 112.39 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.276 0.56 . . . . 0.0 109.509 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.453 ' O ' ' HA ' ' A' ' 12' ' ' SER . 9.8 tpt -103.16 132.19 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.653 -172.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -121.42 175.32 6.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.797 0.332 . . . . 0.0 110.286 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -67.56 -23.16 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.247 0.546 . . . . 0.0 109.865 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.62 -8.35 59.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.757 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -96.42 1.11 51.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.582 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.537 HD21 ' HA3' ' A' ' 45' ' ' GLY . 94.7 mt -99.87 135.26 20.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.572 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.0 Cg_exo -65.06 108.35 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 123.2 2.6 . . . . 0.0 110.512 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.515 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 60.1 Cg_endo -73.16 61.1 3.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.95 2.434 . . . . 0.0 112.368 -176.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.59 9.43 5.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.005 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -166.22 113.69 0.89 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 122.211 1.005 . . . . 0.0 109.727 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.572 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 9.6 t -118.69 159.47 23.58 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.357 168.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.5 mmp_? -68.57 -24.7 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -160.71 134.05 6.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.114 0.483 . . . . 0.0 110.941 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.677 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 97.5 m95 -90.28 80.41 6.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.9 m -78.55 155.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.26 71.16 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 111.66 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -59.16 -39.6 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 42' ' ' VAL . 13.7 ttt180 -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.471 -175.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.677 ' HD3' ' HB3' ' A' ' 34' ' ' TRP . 10.1 mmmm -65.15 -51.1 63.21 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.606 HD12 HD21 ' A' ' 74' ' ' LEU . 46.7 mm -61.0 -37.2 76.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.683 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.23 80.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.415 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 38' ' ' ARG . 21.3 t -62.64 -54.56 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -52.07 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.79 -37.53 87.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.577 0.227 . . . . 0.0 110.924 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.537 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.72 -43.48 59.54 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.989 -178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 42' ' ' VAL . 35.0 m -78.65 -46.58 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 117.133 0.467 . . . . 0.0 111.832 -177.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 HG23 ' A' ' 46' ' ' VAL . 63.1 mt -72.6 -53.98 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.963 0.411 . . . . 0.0 111.567 -174.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.625 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 34.7 t80 -87.61 -17.63 31.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -173.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.93 -56.12 0.9 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.512 -0.851 . . . . 0.0 114.102 -174.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -103.67 -71.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -168.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.543 HD13 ' HB3' ' A' ' 55' ' ' GLU . 1.6 pp -142.82 -172.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -166.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.58 157.73 31.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.03 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB3' ' OH ' ' A' ' 90' ' ' TYR . 44.7 tp -58.24 -29.39 65.71 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -177.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.78 -48.13 78.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.604 0.24 . . . . 0.0 111.322 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HB3' HD13 ' A' ' 51' ' ' ILE . 16.9 tp10 -66.71 -46.48 75.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 0.0 110.871 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -9.71 58.13 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.737 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 39.4 ttmt -88.52 -40.76 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 82.2 mm-40 -67.11 -27.39 67.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.256 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.9 m -100.38 -62.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.788 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.515 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 27.0 m-85 -106.03 15.18 26.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -174.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -63.38 -21.88 64.92 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 114.905 0.722 . . . . 0.0 114.905 -167.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 55.18 -97.05 0.07 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -176.09 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.516 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m -129.55 141.82 50.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 166.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.47 -49.7 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.319 0.387 . . . . 0.0 110.969 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.56 -39.47 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.01 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -69.51 -49.48 54.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.92 -41.62 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.402 . . . . 0.0 110.193 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.46 -18.57 62.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.625 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -70.07 -29.53 66.55 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.788 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.488 ' CH2' HD11 ' A' ' 62' ' ' LEU . 47.6 m0 -66.35 -45.87 78.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.7 t -66.0 -30.8 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.169 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -67.3 -33.85 76.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.81 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.292 0.568 . . . . 0.0 110.267 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.606 HD21 HD12 ' A' ' 40' ' ' ILE . 96.0 mt -90.61 -2.57 57.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.842 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.72 84.01 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.131 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.699 ' HB3' ' HD3' ' A' ' 79' ' ' LYS . 38.6 mt-10 55.4 24.27 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.146 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 2.3 m80 -69.41 -23.52 63.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 174.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.26 -13.17 70.13 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.273 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.699 ' HD3' ' HB3' ' A' ' 76' ' ' GLU . 36.4 mtpt -97.15 -73.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.226 0.536 . . . . 0.0 110.371 178.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -132.5 -30.56 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.098 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 77' ' ' HIS . . . 74.93 0.09 3.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.48 0.712 . . . . 0.0 112.264 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -117.93 156.82 27.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 67.81 -4.17 1.03 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.53 106.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.532 HG21 ' HG2' ' A' ' 16' ' ' PRO . 24.2 p -55.2 -63.46 1.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.776 -171.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -34.83 61.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.35 -51.91 7.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -173.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 63.1 tttm -63.58 -36.18 82.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.23 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HG3' ' HE1' ' A' ' 48' ' ' TYR . 29.0 mmtp -73.56 -35.21 65.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.322 -178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.457 ' OH ' ' HB3' ' A' ' 53' ' ' LEU . 37.0 t80 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -80.87 -30.71 35.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.439 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 19.4 tp60 -67.61 -33.85 75.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.089 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.535 178.35 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.71 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.3 p -111.81 123.27 49.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.345 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.78 153.79 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.0 m -102.5 108.71 20.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.47 161.38 79.39 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.85 11.4 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.128 2.552 . . . . 0.0 113.143 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -99.4 -7.78 25.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 109.474 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.43 15.42 68.78 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -104.48 150.58 24.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.753 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 pt -100.17 130.13 49.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 ttm -126.06 119.57 27.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.921 175.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 4.4 m -89.85 154.92 19.51 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -69.34 -8.29 44.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.066 0.46 . . . . 0.0 110.518 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.61 -10.45 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.778 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -88.06 -13.47 41.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 109.795 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.77 148.19 47.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.471 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.622 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 76.3 Cg_exo -47.67 109.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.244 2.629 . . . . 0.0 111.075 166.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.72 -38.17 90.38 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.638 2.225 . . . . 0.0 112.42 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -176.93 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.067 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -129.34 87.44 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.258 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.622 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 5.6 m -67.05 125.55 26.37 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 169.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -73.43 -26.03 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.562 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -135.43 106.75 6.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.968 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HG2' ' A' ' 39' ' ' LYS . 82.3 m95 -87.92 132.83 34.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 38' ' ' ARG . 18.3 m -119.67 157.24 21.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.43 80.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.0 m -59.27 -31.84 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 111.516 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.4 ttt180 -77.62 -28.68 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.314 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 70' ' ' TRP . 82.8 mttt -74.53 -39.7 62.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 109.85 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.607 HG23 HD21 ' A' ' 74' ' ' LEU . 75.8 mt -58.43 -38.58 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.115 173.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.25 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.018 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 38' ' ' ARG . 19.5 t -61.35 -56.54 17.15 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.923 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.487 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -60.37 -40.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -177.419 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -72.11 -37.69 69.46 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.303 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.72 -48.82 59.48 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.409 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.691 HG23 HG13 ' A' ' 47' ' ' ILE . 24.4 m -68.7 -56.46 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 O-C-N 122.721 -0.282 . . . . 0.0 111.662 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.691 HG13 HG23 ' A' ' 46' ' ' VAL . 81.2 mt -70.02 -44.36 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.33 0.394 . . . . 0.0 111.912 -170.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -85.27 -29.96 24.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.028 0.442 . . . . 0.0 111.115 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -60.75 0.81 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.328 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.14 -76.25 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -165.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.15 171.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.2 0.524 . . . . 0.0 112.349 -166.232 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -69.38 165.0 21.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.732 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.93 -33.59 73.4 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.893 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.67 -45.54 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.83 -9.65 58.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.855 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -89.36 -36.39 15.54 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 30.0 mm-40 -65.42 -43.0 91.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.251 0.548 . . . . 0.0 110.01 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -92.18 -54.25 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.447 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.456 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 74.4 m-85 -105.69 16.51 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -171.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.14 -21.21 69.8 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.15 -173.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 45.44 -96.47 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.44 0.696 . . . . 0.0 111.34 -177.576 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.532 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 51.0 m -140.5 144.45 36.0 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.13 -48.34 44.81 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.458 0.474 . . . . 0.0 111.578 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.683 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.15 -44.82 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.44 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.668 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -66.14 -32.54 74.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.442 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -60.28 -40.21 89.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.859 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.498 ' CE2' ' HB3' ' A' ' 39' ' ' LYS . 38.1 m0 -63.95 -51.41 64.51 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-O 121.134 0.492 . . . . 0.0 110.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.08 -43.23 98.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.997 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.0 m -65.76 -30.41 71.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.55 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 109.921 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD21 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -79.49 -19.77 48.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.814 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . . . -75.04 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.509 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 74.86 -38.59 0.39 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.883 0.739 . . . . 0.0 110.204 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 75' ' ' ALA . 79.9 m-70 -129.56 122.48 29.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 171.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.92 55.86 3.89 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.028 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.53 -51.46 0.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.136 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.7 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.614 -174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . . . 70.05 -9.93 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.404 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.7 tp -76.28 -13.8 60.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.39 0.614 . . . . 0.0 110.32 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.96 -20.03 56.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.686 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.82 119.75 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.208 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 m -53.75 -38.23 64.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 111.924 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.34 55.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.601 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 87' ' ' LEU . 2.3 tm? -87.83 -39.9 14.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.38 -38.45 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.743 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 18.8 mmtp -71.52 -34.3 69.95 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 176.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -66.82 -16.57 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 110.366 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -94.84 -49.44 5.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.2 -33.68 76.36 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 -177.833 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 121.524 0.678 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -121.07 144.02 48.77 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.979 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.518 HG11 ' HA2' ' A' ' 49' ' ' GLY . 9.3 m -105.41 131.08 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.063 0.459 . . . . 0.0 111.022 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -92.53 111.36 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -84.34 156.59 62.7 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.71 -4.39 7.04 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.899 2.399 . . . . 0.0 112.494 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.03 -20.22 42.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.102 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.72 -21.62 41.61 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -80.6 134.35 35.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.417 -0.391 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 pt -95.85 133.95 35.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.228 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.411 ' HB2' HG23 ' A' ' 13' ' ' VAL . 86.4 mmm -106.4 135.32 48.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.978 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.33 162.88 26.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.861 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.32 -11.95 46.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.9 -9.89 35.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.314 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.48 -11.29 29.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.044 0.449 . . . . 0.0 111.058 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 50' ' ' LEU . 48.3 mt -68.69 139.95 91.6 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.941 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 25.9 Cg_exo -64.36 115.3 3.1 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 111.536 170.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 7.2 Cg_exo -73.74 64.37 4.84 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 123.157 2.571 . . . . 0.0 112.132 -178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.13 -54.05 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.757 0.823 . . . . 0.0 111.9 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.547 ' O ' HG22 ' A' ' 31' ' ' THR . 13.2 p30 -98.14 -42.6 7.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.575 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 0.6 OUTLIER 62.03 -2.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.184 0.994 . . . . 0.0 112.567 177.445 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 30' ' ' ASN . 25.0 mtp85 73.19 -34.47 0.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.463 1.105 . . . . 0.0 112.419 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -154.1 113.48 3.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -86.36 126.32 34.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.752 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 38' ' ' ARG . 31.2 m -122.12 172.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 170.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -57.11 -48.29 78.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.583 0.23 . . . . 0.0 111.463 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.1 p -65.48 -29.18 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.601 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.6 mmt180 -61.55 -44.05 97.75 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.24 -48.06 68.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.494 HG23 HD21 ' A' ' 74' ' ' LEU . 45.8 mm -62.33 -28.08 43.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.7 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.38 -29.35 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.184 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 38' ' ' ARG . 10.5 t -69.85 -52.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.485 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -56.29 -54.05 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -66.83 -31.05 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.006 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.39 -44.26 90.82 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.56 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.448 HG23 HG13 ' A' ' 47' ' ' ILE . 27.4 m -80.91 -47.76 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.448 HG13 HG23 ' A' ' 46' ' ' VAL . 83.0 mt -68.11 -37.31 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -173.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -93.53 -32.39 14.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.48 -55.89 0.88 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.935 -170.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 26' ' ' LEU . 90.9 mt -105.31 -76.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -164.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.498 HD13 ' HB3' ' A' ' 55' ' ' GLU . 1.7 pp -143.51 -175.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -165.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 p -83.56 177.9 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.241 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.496 ' HG ' ' HE2' ' A' ' 57' ' ' LYS . 57.3 tp -61.54 -29.74 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.609 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.28 -55.53 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.759 0.314 . . . . 0.0 111.408 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB3' HD13 ' A' ' 51' ' ' ILE . 25.5 tp10 -65.22 -42.28 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.129 0.49 . . . . 0.0 110.17 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.5 -27.47 67.62 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.947 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 41.7 mtmt -83.56 -33.06 25.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.654 -0.819 . . . . 0.0 111.37 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.39 -39.72 92.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.889 0.376 . . . . 0.0 110.804 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.7 m -96.9 -53.53 3.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.591 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.6 m-85 -106.1 16.68 24.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.36 -171.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.656 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -62.17 -23.99 64.73 Favored Glycine 0 C--O 1.227 -0.343 0 CA-C-O 118.483 -1.176 . . . . 0.0 115.93 -166.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 32.05 -95.63 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.389 0.676 . . . . 0.0 112.382 -176.085 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 m -127.33 131.6 50.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.59 -42.46 88.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.954 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 2.9 mp0 -53.3 -44.27 68.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.232 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.58 -51.32 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.443 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE1' HD13 ' A' ' 53' ' ' LEU . 21.3 t80 -57.85 -44.65 86.68 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.741 -177.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -65.41 -29.55 70.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.3 m -65.14 -37.03 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.612 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.485 ' HE3' HG13 ' A' ' 43' ' ' VAL . 32.7 m0 -64.5 -51.14 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.962 0.41 . . . . 0.0 109.923 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 87' ' ' LEU . 41.3 t -60.0 -39.3 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.3 m -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.71 -29.52 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.232 0.539 . . . . 0.0 110.517 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD21 HG23 ' A' ' 40' ' ' ILE . 92.5 mt -81.91 -6.56 59.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.772 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.41 -8.69 57.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.05 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.73 -58.67 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.477 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -154.56 131.28 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.427 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.24 24.4 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.741 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 179.93 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.894 0.378 . . . . 0.0 110.529 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -131.64 -57.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.703 -173.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 76.66 -18.57 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.658 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.36 -34.13 15.8 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.03 0.443 . . . . 0.0 110.527 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -83.61 9.65 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.45 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -68.29 117.42 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -54.27 -45.16 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.419 0.449 . . . . 0.0 112.122 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.88 66.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.869 0.366 . . . . 0.0 111.952 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.415 HD23 HG11 ' A' ' 71' ' ' VAL . 1.7 tm? -83.22 -47.17 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.72 -40.09 82.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.044 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.44 -46.91 84.13 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.317 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -56.14 -43.98 78.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.787 0.327 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -73.33 -43.62 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 111.52 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.36 -32.57 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 111.009 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.6 -179.627 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 4.9 mmp_? . . . . . 0 CA--C 1.513 -0.472 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.682 ' HB3' HG22 ' A' ' 22' ' ' THR . 4.0 p -99.65 174.14 6.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.71 -171.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.551 HG11 ' HA2' ' A' ' 49' ' ' GLY . 1.3 m -129.16 119.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.148 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.3 m -84.07 136.95 33.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.447 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.579 HD11 ' HE ' ' A' ' 44' ' ' ARG . 82.1 mt -94.96 153.12 39.94 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.126 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.13 -22.0 30.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.043 2.495 . . . . 0.0 112.347 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.95 -30.35 67.83 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -13.47 26.76 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.388 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -90.51 139.81 30.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.912 0.387 . . . . 0.0 110.672 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 pt -99.38 153.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.056 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.574 ' HG3' ' HB2' ' A' ' 25' ' ' ASP . 33.6 ttm -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.929 0.395 . . . . 0.0 111.09 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 12' ' ' SER . 67.0 p -103.4 -179.86 4.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.258 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -69.79 -18.78 63.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.805 173.369 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.26 -28.07 42.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.574 ' HB2' ' HG3' ' A' ' 21' ' ' MET . 22.2 m-20 -76.68 -18.86 58.31 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.301 0.572 . . . . 0.0 109.915 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' HA3' ' A' ' 45' ' ' GLY . 96.1 mt -84.5 137.77 38.86 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.344 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.769 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 66.4 Cg_exo -44.08 122.75 3.76 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 123.856 3.038 . . . . 0.0 111.992 171.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 32.1 Cg_exo -59.47 -53.75 3.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.958 2.438 . . . . 0.0 112.383 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.66 -53.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.046 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -82.39 -56.45 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.688 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.769 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.9 m 63.08 89.02 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.664 0.603 . . . . 0.0 110.408 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -84.37 21.64 1.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.926 -171.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.553 ' HG3' HG13 ' A' ' 35' ' ' VAL . 29.3 tpt180 -163.46 89.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.859 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -83.85 90.0 7.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.303 0.573 . . . . 0.0 110.911 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 33' ' ' ARG . 34.0 m -94.17 167.11 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.11 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -55.51 -45.03 77.13 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.478 0.486 . . . . 0.0 111.381 -176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -58.67 -41.64 86.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.256 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 42' ' ' VAL . 70.4 mtt-85 -73.2 -33.86 65.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.502 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 58.4 mtpt -58.57 -55.18 38.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.179 0.514 . . . . 0.0 110.032 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 57.5 mt -62.83 -37.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.312 177.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.13 79.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.356 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' ARG . 34.5 t -63.77 -54.3 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.223 -0.191 . . . . 0.0 110.844 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.95 -45.58 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.258 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -73.61 -28.35 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.485 177.494 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.63 ' N ' ' HD3' ' A' ' 44' ' ' ARG . . . -72.48 -39.56 56.34 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.382 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG23 HG13 ' A' ' 47' ' ' ILE . 33.4 m -83.53 -54.64 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.673 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.58 HG23 ' HB2' ' A' ' 90' ' ' TYR . 78.9 mt -64.77 -51.29 69.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 80.4 t80 -87.85 -19.67 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.138 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.551 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -102.26 -75.12 1.08 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 114.774 -172.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.18 -75.81 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -161.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -123.38 174.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.096 0.474 . . . . 0.0 112.205 -167.663 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -78.0 167.66 21.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.68 -32.37 73.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.667 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.22 85.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.372 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.542 ' OE1' ' HB ' ' A' ' 51' ' ' ILE . 28.7 mt-10 -69.77 -40.67 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.547 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.1 -9.04 58.36 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.556 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 27.7 ttpp -94.99 -39.32 10.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.129 0.49 . . . . 0.0 110.294 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.29 -19.54 58.18 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.384 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -100.57 -66.36 0.91 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.502 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 90.8 m-85 -101.64 15.7 28.09 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -176.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -71.99 -14.72 76.13 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.574 -170.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.525 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 54.85 -92.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.037 0.492 . . . . 0.0 109.954 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.525 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 2.1 m -127.42 142.18 51.49 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.02 -61.3 1.94 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 68' ' ' ASN . 7.6 mm-40 -70.22 -29.29 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.717 0.294 . . . . 0.0 111.215 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 28.7 tt0 -58.2 -47.11 84.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.527 175.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.04 -42.04 63.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 65' ' ' GLU . 92.6 m-20 -61.04 -26.49 67.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.073 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 t -63.99 -32.77 74.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -71.52 -43.24 66.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.95 -41.81 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.674 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 p -69.33 -24.7 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.628 0.251 . . . . 0.0 111.129 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.65 -33.33 64.44 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.17 -14.3 53.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.868 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HA ' HG11 ' A' ' 84' ' ' VAL . . . -78.92 -22.89 45.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.495 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 69.96 -66.98 0.25 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 124.162 0.913 . . . . 0.0 110.916 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.67 -20.22 20.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -176.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.5 -79.39 1.56 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.692 173.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 81' ' ' ALA . 85.0 tttt -69.08 -24.34 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.109 0.48 . . . . 0.0 111.095 -173.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.4 m-20 -78.52 32.62 0.19 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.392 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.522 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -60.72 -17.32 47.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.774 -175.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.95 -23.29 61.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.173 0.511 . . . . 0.0 110.538 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -107.44 -3.28 19.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.243 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.4 t -76.27 124.77 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.297 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 7.1 m -49.34 -57.42 6.9 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.63 0.581 . . . . 0.0 112.219 -175.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.31 74.82 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 2.1 tm? -84.79 -40.07 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -174.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -59.35 -37.02 76.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.143 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 85' ' ' THR . 71.2 mmtt -64.69 -47.14 79.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.58 ' HB2' HG23 ' A' ' 47' ' ' ILE . 71.1 t80 -61.08 -49.28 77.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.448 -177.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.187 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -64.83 -39.43 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.271 0.557 . . . . 0.0 109.738 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.869 178.895 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 22' ' ' THR . 2.7 mpp_? . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.453 ' HB3' HG22 ' A' ' 22' ' ' THR . 55.8 p -118.86 113.13 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.98 136.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.459 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.5 m -97.97 107.5 19.99 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD11 ' SD ' ' A' ' 21' ' ' MET . 76.9 mt -71.19 158.62 87.7 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.433 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.28 -3.22 9.54 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.8 2.333 . . . . 0.0 110.616 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.94 -41.29 74.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.096 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.17 -30.29 6.61 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 m -79.8 145.8 32.62 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.126 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 pt -100.39 148.19 7.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.148 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.507 ' SD ' HD11 ' A' ' 15' ' ' LEU . 83.3 mtp -127.81 121.26 29.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 12' ' ' SER . 71.8 p -103.98 -178.24 3.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.844 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 3.1 tmt_? -60.54 -24.85 65.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.637 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.64 -10.53 24.89 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.38 -33.02 60.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.662 0.268 . . . . 0.0 111.243 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 pp -86.3 158.07 55.48 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.631 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.448 ' CB ' ' HB ' ' A' ' 31' ' ' THR . 38.2 Cg_endo -83.22 107.06 1.43 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.894 2.396 . . . . 0.0 111.877 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.851 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 6.0 Cg_exo -78.48 63.25 8.41 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.483 2.789 . . . . 0.0 112.051 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.98 -54.52 0.66 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.728 0.811 . . . . 0.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -95.54 75.06 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.566 0.698 . . . . 0.0 109.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 27' ' ' PRO . 13.1 t -91.71 177.95 6.06 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.988 171.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.62 -47.25 19.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.838 0.351 . . . . 0.0 110.454 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 52.9 ttt180 -148.02 128.52 14.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.756 0.312 . . . . 0.0 110.671 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.97 71.87 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.629 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.3 m -77.75 163.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.061 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . . . -56.02 -40.29 73.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 0.0 111.218 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.3 m -58.71 -39.17 80.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.438 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 42' ' ' VAL . 90.1 mtt-85 -76.37 -34.11 58.91 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.889 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HD2' ' HA ' ' A' ' 36' ' ' ALA . 67.0 mttm -57.75 -50.29 73.73 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.368 0.604 . . . . 0.0 110.002 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.29 -36.31 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.659 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.43 80.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.291 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 38' ' ' ARG . 36.1 t -61.93 -55.73 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.425 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -63.07 -32.62 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.909 -177.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.24 -53.22 52.46 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.112 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.22 -41.73 94.63 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.506 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 HG13 ' A' ' 47' ' ' ILE . 27.9 m -71.68 -57.04 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 117.346 0.573 . . . . 0.0 111.218 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.597 HG13 HG23 ' A' ' 46' ' ' VAL . 67.9 mt -67.9 -56.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 111.612 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -77.93 -26.61 49.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.327 -174.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.21 -65.17 0.81 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.304 -0.95 . . . . 0.0 114.873 -170.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.68 -74.18 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -162.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -125.48 177.26 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.415 0.626 . . . . 0.0 112.627 -163.628 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 p -82.74 173.19 12.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.26 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.83 -26.57 68.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.38 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.71 80.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.244 0.545 . . . . 0.0 110.853 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.531 ' HB2' HG13 ' A' ' 51' ' ' ILE . 16.9 mm-40 -68.12 -45.97 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.28 -12.31 61.5 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.073 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.7 ttpp -88.81 -40.15 13.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.083 0.468 . . . . 0.0 109.803 176.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.6 -46.29 88.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.646 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -92.78 -51.04 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.851 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 52.0 m-85 -105.8 16.09 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.98 -30.45 77.05 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.962 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 44.52 -96.02 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.214 0.606 . . . . 0.0 111.32 -177.151 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 18.3 m -134.05 144.44 48.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -62.81 -34.09 76.58 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.76 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -60.79 -48.31 82.38 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.419 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -60.06 -51.9 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.739 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.25 -42.45 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.827 0.346 . . . . 0.0 110.828 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -64.2 -33.34 75.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.9 p -62.33 -34.58 76.91 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.305 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.425 ' HE3' HG13 ' A' ' 43' ' ' VAL . 28.5 m0 -67.77 -53.59 25.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 109.923 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.35 -44.39 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.507 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.1 p -69.1 -31.03 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.276 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.61 -27.5 62.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.24 -27.96 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.924 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -89.62 -25.59 21.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.003 -177.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 71.88 -11.42 0.76 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.202 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' A' ' 75' ' ' ALA . 62.0 m-70 -135.86 117.01 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.59 60.14 0.68 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.625 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.487 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 22.6 mtmt -127.04 -67.03 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.577 0.703 . . . . 0.0 110.052 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.7 m-20 -62.08 -29.27 70.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.58 -175.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.03 -31.51 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.131 0.972 . . . . 0.0 110.527 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 80' ' ' ASP . 95.4 mt -86.24 -11.92 51.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.849 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -101.39 10.14 40.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.151 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 60.0 t -86.56 113.7 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -43.56 -58.23 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -20.22 60.28 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -89.34 -42.11 11.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -174.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -60.15 -39.46 86.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -72.01 -36.39 69.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.652 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.65 -13.81 62.41 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.441 0.639 . . . . 0.0 110.327 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 91' ' ' ARG . 14.6 mmm180 -97.38 -51.1 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 175.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.94 -32.27 71.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.94 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.128 -178.395 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' ' 11' ' ' ARG . 12.7 tpt180 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.471 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 22.8 m -113.26 152.84 29.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -101.86 138.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.637 173.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -101.45 117.74 35.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD13 ' HD3' ' A' ' 44' ' ' ARG . 64.5 mt -80.31 144.96 58.86 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.829 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.21 -7.16 11.29 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.011 2.474 . . . . 0.0 112.682 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -20.34 50.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.227 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.61 53.68 1.3 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.646 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t -157.16 147.33 20.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 pt -111.67 143.04 22.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 0.0 111.046 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.4 ' HE1' ' HB1' ' A' ' 41' ' ' ALA . 80.4 mtp -135.3 143.6 46.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.97 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 24' ' ' ALA . 8.8 t -142.54 -177.31 5.22 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -62.57 -5.47 2.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' H ' HG23 ' A' ' 22' ' ' THR . . . -94.23 -13.22 26.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.989 0.423 . . . . 0.0 110.897 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -99.18 -0.03 42.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -82.96 139.44 42.86 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.202 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HG2' HG22 ' A' ' 42' ' ' VAL . 85.5 Cg_exo -51.28 116.24 2.56 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.057 2.505 . . . . 0.0 111.816 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 24.6 Cg_exo -65.92 73.49 0.33 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.419 2.746 . . . . 0.0 113.175 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.8 -72.34 0.07 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.836 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.685 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.84 HG22 ' H ' ' A' ' 32' ' ' ARG . 2.6 m 62.52 -166.71 0.22 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.84 ' H ' HG22 ' A' ' 31' ' ' THR . 64.7 mmt-85 -118.96 -62.03 1.57 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -123.55 130.87 53.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.929 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -92.23 83.58 5.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 38' ' ' ARG . 27.7 m -72.87 157.23 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.811 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.16 -46.02 68.71 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.3 0.375 . . . . 0.0 111.446 -175.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -61.73 -33.7 74.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.065 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 42' ' ' VAL . 20.0 ttm180 -79.06 -32.06 44.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.918 -177.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 22.0 mtpp -63.4 -50.35 70.2 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 43' ' ' VAL . 74.1 mt -61.6 -33.12 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.273 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . -64.5 -29.93 70.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.098 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 38' ' ' ARG . 12.5 t -69.33 -51.16 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -63.72 -36.92 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.444 178.542 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' HD3' HD13 ' A' ' 15' ' ' LEU . 72.7 mtt-85 -66.28 -47.46 73.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.608 175.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.22 94.18 Favored Glycine 0 C--O 1.229 -0.217 0 CA-C-N 115.615 -0.72 . . . . 0.0 113.634 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 47' ' ' ILE . 25.0 m -81.05 -61.28 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 117.39 0.595 . . . . 0.0 111.131 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.553 HG13 HG23 ' A' ' 46' ' ' VAL . 80.2 mt -60.82 -51.4 73.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -171.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -90.01 -20.25 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 110.469 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.84 -74.33 1.08 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.294 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -105.4 -76.43 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -163.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.579 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -129.62 174.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.24 0.543 . . . . 0.0 112.151 -166.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -79.64 167.38 20.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 53.2 tp -62.14 -27.37 68.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.271 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -57.93 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HB3' HG13 ' A' ' 51' ' ' ILE . 45.0 tt0 -61.04 -38.15 85.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -62.49 -40.03 95.36 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.138 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 96.4 mttt -57.86 -50.04 74.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 118.368 0.531 . . . . 0.0 111.008 177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -58.17 -42.71 86.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.287 -175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.4 m -101.33 -51.79 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.638 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.2 m-85 -105.9 17.35 23.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -171.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.479 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -57.16 -23.54 47.59 Favored Glycine 0 C--O 1.227 -0.322 0 N-CA-C 115.533 0.973 . . . . 0.0 115.533 -169.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 40.34 -92.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.648 0.779 . . . . 0.0 112.272 -175.112 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -147.36 147.06 29.92 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -58.47 -50.68 72.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.02 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 48.5 t80 -63.32 -39.77 95.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.69 -38.66 85.72 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.397 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -63.77 -32.14 73.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.545 0.212 . . . . 0.0 110.889 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.456 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 29.7 m0 -70.35 -49.43 49.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.97 -35.76 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.658 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -62.89 -34.91 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.181 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.105 0.478 . . . . 0.0 110.364 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.42 HD11 HG23 ' A' ' 40' ' ' ILE . 97.0 mt -75.43 -32.53 60.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.817 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.85 5.38 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 79' ' ' LYS . 32.4 tt0 53.35 54.47 10.13 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.775 0.672 . . . . 0.0 110.547 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 71.8 10.71 6.3 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.212 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 53.94 2.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 76' ' ' GLU . 14.4 ptmm? -64.47 -26.21 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 111.437 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -161.54 -41.43 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.537 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 65.4 12.73 8.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.605 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.5 mt -120.28 -28.34 5.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -97.27 -14.22 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.948 0.404 . . . . 0.0 110.278 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.77 117.39 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.345 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.3 m -48.12 -56.16 8.51 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -173.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.11 70.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -44.94 10.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -174.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -56.15 -42.28 76.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.044 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.62 -48.09 56.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.35 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -65.77 -21.21 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 91' ' ' ARG . 41.5 ttt-85 -92.26 -45.06 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.877 0.37 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.47 -34.28 60.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.545 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.6 tp . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.993 0.425 . . . . 0.0 111.354 -176.507 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 121.647 0.736 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -134.41 146.26 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.174 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG11 ' HA2' ' A' ' 49' ' ' GLY . 24.0 m -111.72 151.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.791 0.329 . . . . 0.0 111.299 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -109.73 118.31 36.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.821 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD13 ' HD3' ' A' ' 44' ' ' ARG . 43.8 mt -81.96 151.95 67.91 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.042 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.61 -0.46 3.75 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.769 2.313 . . . . 0.0 111.566 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -76.27 -22.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.002 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.8 -7.73 61.14 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.518 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -103.3 151.91 22.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 pt -99.12 164.98 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.258 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -134.31 129.62 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.25 0.548 . . . . 0.0 109.969 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -136.79 175.01 10.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.108 -176.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' H ' HG22 ' A' ' 22' ' ' THR . 60.2 mtp180 -74.33 57.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 111.015 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 -38.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.375 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.73 13.37 20.38 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.932 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -90.82 114.55 61.79 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.843 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.543 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 69.1 Cg_exo -46.13 113.03 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.675 2.917 . . . . 0.0 112.73 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 4.8 Cg_exo -75.69 56.81 4.77 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.517 2.811 . . . . 0.0 112.797 -176.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 72.85 -58.89 0.58 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.721 0.809 . . . . 0.0 112.117 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.64 -65.81 0.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.458 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.543 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 3.8 m 60.51 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.769 0.668 . . . . 0.0 111.667 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 34.9 ptt85 -66.85 110.37 3.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.018 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HD3' HH11 ' A' ' 33' ' ' ARG . 28.8 ttt-85 68.67 91.06 0.09 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.437 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.45 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 41.3 m95 -70.47 92.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.607 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 m -83.36 165.63 2.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.01 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.332 0.395 . . . . 0.0 111.119 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 t -59.87 -36.29 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.787 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.806 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -72.33 -47.13 52.1 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 178.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.02 -51.18 70.74 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.313 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.13 -34.72 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.89 76.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 38' ' ' ARG . 24.1 t -65.11 -58.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.658 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.464 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -57.67 -42.06 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -177.439 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' HD3' HD13 ' A' ' 15' ' ' LEU . 99.6 mtt180 -68.99 -42.71 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.72 0.295 . . . . 0.0 110.7 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 49' ' ' GLY . . . -69.28 -35.59 77.16 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.648 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -85.02 -55.99 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 117.6 0.7 . . . . 0.0 111.4 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' N ' HG23 ' A' ' 46' ' ' VAL . 76.7 mt -62.72 -48.77 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 123.351 0.407 . . . . 0.0 111.88 -172.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -97.28 -9.19 28.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.314 0.578 . . . . 0.0 110.231 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.561 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.44 -75.74 1.15 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.456 -0.878 . . . . 0.0 114.34 -173.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.32 -75.54 0.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -165.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.73 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.82 -179.27 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.759 -166.356 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.1 p -77.5 168.55 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.606 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 45.3 tp -66.73 -35.83 81.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.795 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 58' ' ' GLN . . . -60.36 -40.25 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.662 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 21.0 tp10 -64.95 -46.16 82.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.32 0.581 . . . . 0.0 110.1 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.35 -2.5 25.48 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.216 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.873 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 55.9 mtpt -93.91 -36.71 12.07 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 54' ' ' ALA . 76.5 mt-30 -59.84 -41.46 91.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -100.27 -51.91 3.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.743 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m-85 -107.62 19.12 20.6 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.274 -0.393 . . . . 0.0 111.88 -169.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.873 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -35.86 -34.75 0.08 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 116.643 1.417 . . . . 0.0 116.643 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 2.9 mt 58.94 -149.76 0.45 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 117.336 0.568 . . . . 0.0 110.446 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 m -111.38 148.8 32.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.199 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.56 -51.52 62.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.511 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.86 -39.82 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.317 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.49 -53.99 49.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.531 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 58.5 t80 -64.38 -36.75 85.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.956 0.408 . . . . 0.0 110.129 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -59.21 -42.47 91.03 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.953 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.7 p -63.19 -37.74 88.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.261 -175.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.464 ' HE3' HG13 ' A' ' 43' ' ' VAL . 34.7 m0 -63.94 -54.89 27.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.118 0.485 . . . . 0.0 110.573 -176.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -66.24 -38.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.137 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.8 m -67.12 -31.69 72.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.628 0.251 . . . . 0.0 111.266 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.61 60.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 109.924 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 96.7 mt -77.04 -23.15 52.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.687 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.509 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 73.36 -43.37 0.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 110.569 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 80' ' ' ASP . 3.3 p-80 -130.03 118.47 21.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.51 -10.74 79.76 Favored Glycine 0 N--CA 1.454 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.56 -70.21 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.486 0.66 . . . . 0.0 110.727 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 83' ' ' LYS . 4.1 m-20 -85.09 60.17 6.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.531 -175.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -23.19 66.12 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.391 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp -87.8 -6.94 57.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.438 0.637 . . . . 0.0 110.197 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 34.6 ttmt -99.98 0.15 40.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 0.0 109.583 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.9 t -82.86 123.43 38.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.635 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 p -50.83 -45.8 59.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.07 84.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.979 0.418 . . . . 0.0 111.843 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 87' ' ' LEU . 3.3 tm? -87.35 -40.09 14.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -58.19 -37.14 74.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.569 175.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.21 -50.04 67.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.553 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -61.15 -44.89 96.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -66.19 -39.0 89.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.217 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -80.68 -33.91 35.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.043 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.234 0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.336 -177.804 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 . . . . . 0 N--CA 1.447 -0.602 0 CA-C-O 121.799 0.809 . . . . 0.0 109.084 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 t -114.7 131.28 56.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.262 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.612 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.9 m -97.69 125.41 50.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -86.9 104.6 16.39 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.65 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 17' ' ' ASP . 66.9 mt -66.05 153.8 91.06 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.739 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.26 41.94 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.254 2.636 . . . . 0.0 111.119 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 15' ' ' LEU . 24.1 t70 -135.45 -43.58 0.69 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.865 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.84 -26.03 4.08 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -80.73 150.46 29.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.404 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -116.46 140.42 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.493 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mmm -124.9 150.63 46.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -157.9 179.33 9.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HA ' HD12 ' A' ' 26' ' ' LEU . 14.5 ttm-85 -65.61 -25.58 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 110.511 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -18.19 63.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.58 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.65 -12.47 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.179 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.562 HD21 ' HA3' ' A' ' 45' ' ' GLY . 85.4 mt -69.88 122.53 86.26 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 51.7 Cg_exo -57.35 118.55 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.72 2.28 . . . . 0.0 111.67 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.13 51.02 2.72 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.034 2.49 . . . . 0.0 112.206 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.12 -56.1 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.761 0.824 . . . . 0.0 111.028 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -104.58 53.89 0.73 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.321 0.582 . . . . 0.0 110.57 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 10.4 t -68.96 165.06 20.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.718 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -92.92 124.43 36.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.485 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.7 mmp_? 61.89 87.11 0.1 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.291 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -69.01 120.85 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.068 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.452 HG23 ' H ' ' A' ' 38' ' ' ARG . 22.4 m -121.22 160.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.84 -46.06 71.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.886 0.374 . . . . 0.0 111.672 -176.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.8 m -68.46 -25.1 64.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.66 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.1 ttm-85 -75.39 -38.04 60.19 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 21.3 mtpp -59.65 -48.03 83.28 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.704 0.764 . . . . 0.0 109.598 175.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.55 HG23 HD21 ' A' ' 74' ' ' LEU . 84.1 mt -61.7 -37.44 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.886 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.48 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -61.91 -58.46 7.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.462 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -61.83 -31.82 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.415 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.21 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.003 0.43 . . . . 0.0 110.296 173.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.562 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -71.83 -27.0 71.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.853 -174.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.645 HG23 HG13 ' A' ' 47' ' ' ILE . 16.2 m -82.1 -63.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 117.775 0.787 . . . . 0.0 110.888 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.645 HG13 HG23 ' A' ' 46' ' ' VAL . 71.8 mt -60.96 -50.4 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.647 0.592 . . . . 0.0 112.025 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -97.09 -8.21 30.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.052 0.453 . . . . 0.0 110.229 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.612 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.98 -75.83 1.17 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.964 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.82 -76.31 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 pp -118.15 -176.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -165.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 170.09 10.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.979 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.797 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.64 76.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -64.79 -48.41 74.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.814 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.36 68.3 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.177 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 16.3 ttpp -85.43 -42.88 14.1 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.623 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.82 -29.54 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.64 0.257 . . . . 0.0 111.102 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -100.06 -56.69 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.484 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 36.7 m-85 -105.54 16.6 25.2 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -173.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.434 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -60.97 -26.88 66.18 Favored Glycine 0 C--O 1.228 -0.269 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -170.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.518 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 49.68 -90.64 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.453 0.701 . . . . 0.0 110.966 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 13.5 t -137.42 144.22 42.27 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 174.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.65 -42.45 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.168 0.509 . . . . 0.0 109.795 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.18 -46.48 86.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.858 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -56.96 -54.89 41.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.65 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -63.17 -41.94 99.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.162 -174.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -70.49 -20.56 62.84 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.918 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -71.87 -30.14 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.39 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.448 ' HE3' HG13 ' A' ' 43' ' ' VAL . 24.9 m0 -69.09 -45.67 69.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.1 t -66.2 -39.56 84.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.664 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -61.19 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.36 -28.92 67.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.377 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD21 HG23 ' A' ' 40' ' ' ILE . 96.1 mt -87.37 -7.21 58.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.418 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB2' HG13 ' A' ' 84' ' ' VAL . . . -99.87 -17.15 17.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.041 174.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 72.83 -49.75 0.7 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.23 0.956 . . . . 0.0 111.22 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -127.24 111.0 13.45 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.125 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.91 -103.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp 70.83 -60.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.503 0.721 . . . . 0.0 111.886 172.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -85.24 -37.28 20.24 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.3 -10.29 1.38 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.16 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -100.16 -37.58 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 110.194 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -86.93 20.52 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.15 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' A' ' 75' ' ' ALA . 92.7 t -60.94 120.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.7 m -48.04 -53.13 17.33 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.07 -19.52 59.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -91.14 -42.67 10.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -175.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.07 -37.97 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.214 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -73.09 -36.47 66.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.705 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -61.03 -45.0 96.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 87' ' ' LEU . 9.6 mmm180 -58.68 -53.48 57.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.032 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 -177.937 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 . . . . . 0 C--O 1.232 0.138 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -71.81 109.93 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -72.76 129.75 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.406 0.622 . . . . 0.0 111.398 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -98.42 108.26 20.92 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.124 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.95 154.62 88.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.05 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -62.04 -5.9 7.07 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.821 2.347 . . . . 0.0 112.023 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -44.74 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.65 175.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.9 -24.03 5.2 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.055 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 t -80.16 137.15 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.6 pp -98.76 144.04 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 177.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.6 mtp -124.54 133.4 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -111.22 -179.34 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.519 174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.723 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -81.87 8.26 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.765 0.793 . . . . 0.0 109.446 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.76 -27.64 17.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.786 171.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.25 -36.67 46.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.849 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.12 124.48 86.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.644 -179.634 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.592 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 82.4 Cg_exo -50.15 132.85 34.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.14 2.56 . . . . 0.0 113.198 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 76.4 Cg_exo -52.3 -53.95 6.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.092 2.528 . . . . 0.0 112.469 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -48.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.821 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.597 ' O ' HG22 ' A' ' 31' ' ' THR . 28.7 p-10 -128.89 0.68 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.835 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 30' ' ' ASN . 2.7 t 60.21 -53.96 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.2 1.4 . . . . 0.0 112.554 -174.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER 175.88 -61.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.76 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 33' ' ' ARG . 42.7 ttm180 -139.75 2.77 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.468 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.551 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 76.5 m95 64.83 95.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.208 -177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m -88.31 145.85 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 170.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.99 -48.03 67.77 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.324 0.39 . . . . 0.0 111.752 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -57.68 -33.28 68.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.861 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.1 ttt180 -85.23 -24.35 27.87 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.924 -176.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' ' 34' ' ' TRP . 63.0 mttm -60.45 -49.1 78.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.599 0.714 . . . . 0.0 109.249 170.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.52 -34.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.666 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.28 -32.37 73.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' ARG . 23.6 t -64.86 -54.85 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.571 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG12 ' CZ ' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -59.01 -38.3 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.392 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -69.78 -42.63 73.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.34 97.43 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.241 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.634 HG23 HG13 ' A' ' 47' ' ' ILE . 17.5 m -82.92 -62.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.332 0.566 . . . . 0.0 111.66 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.634 HG13 HG23 ' A' ' 46' ' ' VAL . 69.5 mt -62.93 -35.67 72.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 111.99 -170.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.449 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 40.7 t80 -97.45 -26.73 14.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.329 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -70.93 0.93 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.508 -172.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 mp -105.56 -75.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -166.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 55' ' ' GLU . 29.2 pt -121.52 164.17 18.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -166.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 p -80.82 -178.82 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.513 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.636 ' O ' ' HB2' ' A' ' 57' ' ' LYS . 51.8 tp -75.41 -7.94 55.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.013 0.435 . . . . 0.0 110.304 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 -60.82 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.873 0.368 . . . . 0.0 110.181 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.481 ' HB3' HD12 ' A' ' 51' ' ' ILE . 9.4 tp10 -66.96 -38.36 85.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.275 0.56 . . . . 0.0 109.973 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -68.5 -13.07 62.07 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.512 178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 3.4 ttmp? -87.97 -43.3 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.247 0.546 . . . . 0.0 109.643 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.69 -38.51 90.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.94 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 -50.62 3.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.06 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.685 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.2 m-85 -108.24 18.06 21.51 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -171.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -44.7 -38.75 5.71 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -168.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 51.44 -99.84 0.08 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.573 0.702 . . . . 0.0 109.469 -173.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 57.9 m -156.31 146.03 20.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 169.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.21 -36.31 65.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 117.867 0.303 . . . . 0.0 110.785 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.47 -42.67 95.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.772 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.3 -51.48 69.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.054 0.454 . . . . 0.0 109.853 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CZ ' HG12 ' A' ' 43' ' ' VAL . 53.0 t80 -64.16 -46.53 83.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.318 -174.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -70.42 -22.87 62.68 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.209 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.2 m -65.91 -30.47 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.711 0.291 . . . . 0.0 110.495 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.454 ' HE3' HG13 ' A' ' 43' ' ' VAL . 25.3 m0 -68.75 -45.51 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.256 0.551 . . . . 0.0 109.572 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.558 HG11 HD23 ' A' ' 87' ' ' LEU . 45.4 t -68.21 -42.05 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.554 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 m -63.81 -29.37 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.579 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.32 -32.23 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.317 0.58 . . . . 0.0 109.891 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.88 -29.39 55.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.548 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -74.23 -28.83 61.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.559 177.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 7.7 tp10 69.75 -68.25 0.2 Allowed 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.207 0.942 . . . . 0.0 110.653 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -104.52 129.39 52.57 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.45 69.91 2.92 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -141.65 -80.6 0.24 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.85 0.357 . . . . 0.0 110.3 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.41 65.54 7.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.645 0.736 . . . . 0.0 110.719 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -13.65 62.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.481 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 77.4 mt -79.25 -6.13 55.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.579 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -102.0 -10.76 19.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.273 0.559 . . . . 0.0 110.085 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.3 114.26 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.832 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -49.3 -49.12 45.21 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.699 0.624 . . . . 0.0 112.547 -175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.49 -30.73 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.6 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.558 HD23 HG11 ' A' ' 71' ' ' VAL . 1.5 tm? -83.02 -45.03 14.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' A' ' 82' ' ' LEU . 87.3 tttt -62.59 -34.15 76.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.522 177.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' A' ' 48' ' ' TYR . 57.0 tttm -58.1 -58.56 7.88 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.675 176.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.09 -40.8 95.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.754 0.658 . . . . 0.0 111.211 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -67.3 -40.08 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.953 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.6 -15.0 53.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.483 0.658 . . . . 0.0 110.242 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 tp . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 121.245 0.545 . . . . 0.0 110.487 -179.687 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.515 0.674 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 21' ' ' MET . 1.1 m -69.86 104.25 2.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.699 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.58 123.99 42.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.496 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.2 m -76.05 107.96 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.611 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 44' ' ' ARG . 43.1 mt -76.86 141.29 68.01 Favored Pre-proline 0 N--CA 1.445 -0.713 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 34.5 Cg_exo -61.12 -9.0 11.18 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.9 2.4 . . . . 0.0 112.549 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.24 -17.37 59.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.138 0.494 . . . . 0.0 109.884 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.47 46.9 2.07 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.296 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 m -152.17 145.54 24.77 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -107.02 117.37 52.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.193 0.521 . . . . 0.0 110.332 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.503 ' O ' ' HA ' ' A' ' 12' ' ' SER . 94.6 mmm -93.92 134.84 35.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 p -115.55 173.71 6.39 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.239 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 23' ' ' ARG . 43.0 ttp85 -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.155 0.503 . . . . 0.0 110.207 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.18 -31.5 30.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.54 -30.7 64.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.728 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD21 ' HA3' ' A' ' 45' ' ' GLY . 93.9 mt -56.62 128.48 75.09 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.309 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.673 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.5 Cg_exo -48.7 110.66 0.36 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.2 2.6 . . . . 0.0 111.538 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.28 -47.99 24.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.06 2.507 . . . . 0.0 112.947 -173.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -178.7 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.5 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.618 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.673 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.6 m 68.82 137.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.952 0.782 . . . . 0.0 111.036 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -87.78 -32.28 19.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.39 . . . . 0.0 110.992 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -138.77 112.26 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.585 0.707 . . . . 0.0 111.08 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.554 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 86.9 m95 -95.11 88.59 5.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.354 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 38' ' ' ARG . 33.7 m -94.23 171.52 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.893 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.19 95.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.834 0.349 . . . . 0.0 111.056 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 m -66.73 -22.91 66.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.952 0.405 . . . . 0.0 110.775 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.91 -42.13 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.052 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' A' ' 34' ' ' TRP . 1.5 mptm? -52.64 -58.86 5.46 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.885 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.783 HD12 HD21 ' A' ' 74' ' ' LEU . 30.1 mm -58.77 -37.57 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.119 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.84 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 38' ' ' ARG . 40.2 t -70.67 -53.26 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -60.85 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 -176.76 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.561 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.8 mtt-85 -69.67 -33.17 72.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.665 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.521 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -65.91 -42.36 94.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.648 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.2 m -85.98 -50.54 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 122.505 -0.409 . . . . 0.0 111.471 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.551 HD12 HG12 ' A' ' 43' ' ' VAL . 25.1 mt -72.54 -48.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -173.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 66.3 t80 -88.4 -16.04 33.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.317 0.579 . . . . 0.0 109.837 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.27 -74.65 1.06 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.446 -0.797 . . . . 0.0 114.434 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.545 ' HB3' HG23 ' A' ' 51' ' ' ILE . 9.2 mp -105.95 -75.37 0.63 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -164.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -127.77 -177.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -162.801 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.791 HG23 ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -76.85 159.11 30.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.468 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.08 -28.27 68.96 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.136 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.23 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.302 0.572 . . . . 0.0 110.533 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.791 ' HG2' HG23 ' A' ' 52' ' ' THR . 26.2 mm-40 -74.88 -36.14 62.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.598 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -73.85 -6.42 47.0 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.123 177.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 20.7 mtpp -87.51 -45.27 10.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.98 0.419 . . . . 0.0 109.987 173.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.8 -37.61 82.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.302 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 m -100.22 -55.64 2.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.512 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.5 m-85 -106.58 16.2 24.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.154 -171.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -56.26 -37.44 73.14 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-O 119.312 -0.715 . . . . 0.0 114.694 -167.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 55.89 -95.25 0.05 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -173.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.451 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.1 p -142.34 146.01 34.53 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 166.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -48.28 -52.23 22.24 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 69' ' ' SER . 7.2 tp10 -64.98 -34.04 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.428 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.05 -53.72 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.7 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.06 -44.52 92.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.0 110.063 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 3.9 t -68.04 -30.17 69.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -71.29 -45.9 62.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.81 176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 43' ' ' VAL . 11.3 t -60.54 -45.77 96.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 p -68.15 -26.8 65.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.185 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.31 60.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.229 0.537 . . . . 0.0 109.837 176.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.783 HD21 HD12 ' A' ' 40' ' ' ILE . 70.7 mt -77.54 -21.19 52.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.613 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -44.16 74.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.129 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 69.46 -50.86 0.61 Allowed 'General case' 0 N--CA 1.469 0.513 0 O-C-N 124.253 0.971 . . . . 0.0 111.357 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -84.25 -48.8 9.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.205 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.96 -54.85 3.48 Favored Glycine 0 CA--C 1.52 0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.812 174.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.98 -38.77 83.52 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.609 0.364 . . . . 0.0 111.709 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 82' ' ' LEU . 2.3 m-20 -59.27 -64.93 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.45 -27.28 0.19 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.343 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 80' ' ' ASP . 3.9 pp -104.37 -7.77 19.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -101.03 -9.3 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.61 112.76 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.26 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.4 m -53.24 -36.87 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.79 84.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.053 0.454 . . . . 0.0 111.366 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -89.53 -38.55 13.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.13 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.01 -37.18 81.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.164 176.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -72.82 -42.99 63.24 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.598 ' HE1' ' HA ' ' A' ' 52' ' ' THR . 79.5 t80 -57.8 -54.03 51.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.636 0.585 . . . . 0.0 110.895 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -66.51 -31.97 73.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.034 0.445 . . . . 0.0 110.555 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -68.49 -47.18 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 174.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.216 -173.782 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.86 0.362 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -93.72 139.8 30.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.861 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.86 145.46 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 0.0 110.715 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -101.95 118.7 37.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.966 0.412 . . . . 0.0 110.469 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' HD3' ' A' ' 44' ' ' ARG . 60.4 mt -74.3 152.86 88.11 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.744 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.54 -16.79 31.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.503 2.135 . . . . 0.0 111.75 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.12 -17.69 61.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.743 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.26 3.54 55.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.249 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.1 t -100.11 142.49 31.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 pt -100.17 129.21 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.381 . . . . 0.0 110.179 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.1 mmm -115.53 138.79 50.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.308 0.575 . . . . 0.0 111.49 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.458 ' H ' ' HB2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -133.47 169.74 16.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.063 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -64.56 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 118.136 0.425 . . . . 0.0 111.165 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.2 -3.66 52.98 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.909 0.385 . . . . 0.0 111.41 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' A' ' 22' ' ' THR . 28.2 m-20 -98.46 -1.6 40.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.285 0.564 . . . . 0.0 109.606 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD21 ' HA3' ' A' ' 45' ' ' GLY . 99.1 mt -92.73 139.4 23.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.718 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.542 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.2 Cg_exo -46.67 111.81 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 123.102 2.535 . . . . 0.0 112.299 173.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 3.0 Cg_exo -75.49 62.53 6.27 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 123.302 2.668 . . . . 0.0 113.028 -173.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.16 -59.32 0.48 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.819 0.848 . . . . 0.0 112.07 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -74.31 -67.34 0.63 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.175 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 7.8 m 71.18 138.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.763 0.664 . . . . 0.0 111.135 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -96.68 90.55 5.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.918 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 74.27 106.44 0.07 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -80.68 90.48 5.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.191 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 38' ' ' ARG . 31.8 m -81.71 168.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.71 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.658 0.265 . . . . 0.0 111.219 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -60.82 -31.51 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.251 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.93 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -71.52 -46.29 60.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.797 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 86.8 mttt -64.67 -51.02 64.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.13 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.401 HG22 ' HD2' ' A' ' 44' ' ' ARG . 61.2 mt -59.26 -33.06 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.355 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 38' ' ' ARG . 7.7 t -67.35 -53.62 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.05 -43.34 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 -178.598 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HD3' HD13 ' A' ' 15' ' ' LEU . 28.5 mtt85 -62.72 -43.71 98.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 176.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.613 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -68.98 -48.63 46.7 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.698 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.1 m -73.35 -49.11 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.402 0.601 . . . . 0.0 111.497 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.603 HG23 ' CD1' ' A' ' 90' ' ' TYR . 40.8 mt -62.25 -46.01 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 123.532 0.52 . . . . 0.0 111.967 -174.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.79 -32.76 13.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.44 -55.93 0.84 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.243 0.857 . . . . 0.0 115.243 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.87 ' HG ' HG13 ' A' ' 51' ' ' ILE . 34.2 tp -94.39 -77.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -159.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.87 HG13 ' HG ' ' A' ' 50' ' ' LEU . 1.8 pp -151.3 179.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.351 0.596 . . . . 0.0 112.508 -169.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.9 p -75.01 165.86 24.59 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.047 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.15 -19.88 65.97 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.804 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.27 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.529 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HB3' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -69.39 -50.52 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.621 -179.712 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.32 75.06 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.953 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.44 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 34.5 ttpt -68.03 -43.97 77.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.406 0.548 . . . . 0.0 111.099 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.71 -35.22 79.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.768 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.0 m -100.09 -55.99 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.862 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 19.9 m-85 -105.58 16.49 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -173.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.31 -17.77 64.4 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-O 119.417 -0.657 . . . . 0.0 114.458 -169.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 53.23 -95.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.16 -179.351 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.491 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 23.9 t -151.41 151.44 31.7 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 172.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.722 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 10.4 t70 -48.49 -49.7 34.74 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.469 0.481 . . . . 0.0 110.303 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 6.7 mt-10 -50.63 -44.52 57.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.012 -177.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.7 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.73 -36.03 73.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.542 . . . . 0.0 110.737 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.722 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.7 t-20 -56.59 -44.65 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.568 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -65.08 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.528 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.514 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 29.8 m0 -62.35 -51.41 67.72 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 109.894 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 t -69.28 -35.95 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.751 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -62.74 -41.53 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.566 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.16 -27.23 61.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.5 mt -83.16 -26.75 30.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.874 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -77.1 -42.79 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 5.0 mm-40 71.87 -45.96 0.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.98 0.8 . . . . 0.0 112.275 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.573 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 74.7 m-70 -94.03 -77.82 0.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.739 0.304 . . . . 0.0 110.923 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.54 -27.69 19.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.527 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -68.31 -29.21 67.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 77' ' ' HIS . 29.5 p-10 -97.78 36.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.536 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.38 -4.18 10.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.107 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.0 tp -86.61 -15.27 40.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.581 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 35.8 ttpt -105.7 -91.37 0.4 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.646 176.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 31.8 t 43.11 100.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.836 0.855 . . . . 0.0 112.155 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.5 p -48.58 -44.28 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.52 -26.28 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.2 tm? -90.24 -42.77 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -175.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 86.2 tttt -60.24 -40.52 90.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' ' 89' ' ' LYS . 20.7 ttmm -66.71 -44.04 82.69 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.355 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.603 ' CD1' HG23 ' A' ' 47' ' ' ILE . 21.9 t80 -56.61 -50.41 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.78 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -62.88 -49.09 76.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -60.04 -40.59 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.503 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 179.712 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.517 0.675 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -107.24 141.74 38.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.362 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -87.57 140.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.279 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -97.09 111.98 23.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.013 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' HE ' ' A' ' 44' ' ' ARG . 80.3 mt -80.24 159.14 70.96 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 29.6 Cg_endo -63.19 -8.16 13.68 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.934 2.423 . . . . 0.0 113.158 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.27 -16.65 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.179 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.2 -8.65 59.13 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 p -87.49 143.66 27.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.7 pp -106.03 140.82 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.412 ' HB3' ' HE2' ' A' ' 21' ' ' MET . 86.4 mtp -135.6 137.32 41.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.083 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -97.88 163.56 12.74 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -73.34 54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.888 0.851 . . . . 0.0 110.332 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.94 -32.81 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.744 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.39 -10.09 59.38 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.487 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.07 145.12 97.53 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.055 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.594 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 24.6 Cg_exo -62.31 115.21 2.72 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.488 2.125 . . . . 0.0 111.475 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 6.6 Cg_exo -73.69 73.55 3.5 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.082 2.521 . . . . 0.0 112.276 -176.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.38 -40.15 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.837 0.855 . . . . 0.0 112.086 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -152.45 97.79 2.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.328 0.585 . . . . 0.0 109.885 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 12.6 t -76.95 14.37 0.87 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.062 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 72.36 -56.51 0.65 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.95 0.9 . . . . 0.0 111.303 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 33' ' ' ARG . 63.4 mtt85 -120.8 105.49 10.78 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.428 0.632 . . . . 0.0 110.482 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.431 ' CH2' ' HB2' ' A' ' 27' ' ' PRO . 93.5 m95 -90.12 91.73 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.042 -175.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 38' ' ' ARG . 28.2 m -80.37 157.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.057 175.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -53.75 -47.16 70.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.3 0.375 . . . . 0.0 111.573 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -58.86 -37.09 75.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HG2' ' HG3' ' A' ' 27' ' ' PRO . 17.0 ttt180 -81.5 -25.82 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.1 mttt -64.66 -51.05 64.58 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.58 0.705 . . . . 0.0 109.289 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.603 HG22 ' HD2' ' A' ' 44' ' ' ARG . 57.4 mt -56.67 -37.74 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.831 175.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . . . -59.71 -33.84 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.78 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 38' ' ' ARG . 6.7 t -67.72 -50.77 57.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.986 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.464 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -64.47 -46.84 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.164 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.603 ' HD2' HG22 ' A' ' 40' ' ' ILE . 2.2 ptm180 -69.21 -32.36 71.57 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.546 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.67 -47.08 63.72 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.31 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.624 HG23 HG13 ' A' ' 47' ' ' ILE . 27.0 m -75.95 -52.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.692 -177.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.624 HG13 HG23 ' A' ' 46' ' ' VAL . 73.9 mt -71.22 -41.4 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -170.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 54.2 t80 -79.98 -37.16 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.055 0.455 . . . . 0.0 110.692 -177.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.32 -61.9 0.73 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.293 -0.956 . . . . 0.0 115.204 -171.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.67 -75.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -159.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' CG ' ' A' ' 55' ' ' GLU . 17.3 pt -124.38 -176.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -161.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.8 p -97.21 178.89 5.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.205 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 41.9 tp -73.21 -20.44 60.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.139 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -59.95 -51.56 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.418 ' CG ' HD12 ' A' ' 51' ' ' ILE . 10.9 tp10 -70.53 -39.12 74.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.931 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -62.3 -19.61 63.47 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.958 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 67.7 mttm -81.99 -45.08 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.146 0.43 . . . . 0.0 110.063 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 65.7 mm-40 -60.22 -40.63 90.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.249 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.2 m -100.96 -49.77 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.013 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 56.4 m-85 -105.79 18.22 22.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.338 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.81 8.76 1.63 Allowed Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.167 -1.352 . . . . 0.0 115.707 -171.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -6.44 -80.32 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.84 1.256 . . . . 0.0 113.763 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 12.6 t -129.98 131.57 45.96 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 168.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.16 -44.29 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.352 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -75.2 -31.06 60.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.785 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 22.6 tp10 -57.06 -50.75 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.459 ' CE1' HD13 ' A' ' 53' ' ' LEU . 25.6 t80 -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.097 0.475 . . . . 0.0 109.772 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.07 -40.52 96.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.882 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 p -68.1 -22.21 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.484 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.509 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.6 m0 -66.93 -53.53 30.95 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.598 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.25 -38.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.33 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.079 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 -24.68 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.665 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 84.7 mt -71.75 -27.16 62.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.393 0.616 . . . . 0.0 109.654 177.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.56 -63.8 1.22 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.5 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 58.76 -81.41 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.296 1.038 . . . . 0.0 112.121 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -130.8 15.96 5.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.012 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.08 73.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.137 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.9 tttp 72.66 -34.52 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 111.741 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.73 69.1 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.919 0.866 . . . . 0.0 109.448 174.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -95.73 10.64 36.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.903 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.5 mt -95.13 -32.15 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.746 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -112.43 20.64 16.49 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 111.078 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 40.3 t -66.72 122.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.4 p -53.85 -65.02 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.556 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.58 -25.17 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.995 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -82.57 -50.76 8.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -66.28 -31.47 72.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.434 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -66.95 -45.41 77.88 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.829 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.408 ' OH ' ' HB3' ' A' ' 53' ' ' LEU . 34.8 t80 -64.25 -45.82 86.47 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.42 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -62.9 -31.7 72.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -79.73 -38.47 33.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.651 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.63 -177.176 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -114.85 155.09 27.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -172.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 m -95.28 133.28 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.181 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -92.77 100.17 12.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.181 0.515 . . . . 0.0 109.696 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.571 HD13 ' HD3' ' A' ' 44' ' ' ARG . 87.5 mt -79.49 158.16 74.06 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.269 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.65 -3.88 3.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.321 2.68 . . . . 0.0 113.572 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -89.03 -2.3 58.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.038 0.447 . . . . 0.0 110.595 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.23 27.49 48.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.062 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -119.41 134.5 55.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.557 0.218 . . . . 0.0 110.585 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.9 103.12 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.479 0.657 . . . . 0.0 109.913 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.1 mtp -104.01 131.31 51.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.589 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 23' ' ' ARG . 2.0 m -105.5 175.09 5.61 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' H ' HG22 ' A' ' 22' ' ' THR . 38.2 ttm-85 -58.5 -17.56 22.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.615 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.32 -3.22 55.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.711 0.291 . . . . 0.0 111.654 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.87 -0.05 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.512 . . . . 0.0 110.541 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -98.52 131.52 25.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.293 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.612 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.5 Cg_exo -61.74 109.44 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.24 1.96 . . . . 0.0 110.704 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.5 -37.84 96.54 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.82 2.346 . . . . 0.0 112.617 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -174.19 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -135.75 89.22 2.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.693 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 15.3 t -69.97 161.91 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -38.69 91.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.33 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -145.01 110.78 5.39 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -74.99 87.68 2.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 35.6 m -94.09 172.08 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.385 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.71 73.65 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.349 0.405 . . . . 0.0 111.404 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 m -62.52 -36.0 81.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.885 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -66.51 -47.41 73.04 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.537 177.171 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 27.1 mtpp -55.87 -56.79 16.39 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.433 0.458 . . . . 0.0 111.0 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.15 -39.06 77.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.948 0.404 . . . . 0.0 111.299 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.02 73.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.382 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 38' ' ' ARG . 32.2 t -72.9 -42.08 60.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.556 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.509 HG12 HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 109.991 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HD3' HD13 ' A' ' 15' ' ' LEU . 4.5 ppt_? -79.49 -5.71 55.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.611 -176.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.02 -45.99 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.691 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 42' ' ' VAL . 28.8 m -84.46 -43.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.659 177.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.509 HD12 HG12 ' A' ' 43' ' ' VAL . 21.4 mt -64.98 -44.43 96.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.211 -175.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -97.41 -9.42 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.989 0.423 . . . . 0.0 110.24 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.54 -75.04 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.974 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -105.55 -75.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -166.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pp -122.05 -178.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -167.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 p -80.29 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.733 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.9 tp -69.36 -13.67 62.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.88 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -42.15 96.28 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -60.91 -18.72 58.26 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.949 176.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.701 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 18.1 ttmt -96.55 -35.19 11.18 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.859 -0.737 . . . . 0.0 110.303 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.73 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.669 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 m -98.92 -54.28 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.507 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.569 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 32.6 m-85 -104.51 16.12 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.781 -0.191 . . . . 0.0 110.596 -170.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.701 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -52.29 -38.19 49.08 Favored Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 -170.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 57.44 -82.48 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.592 0.71 . . . . 0.0 109.769 -173.368 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 35.2 t -158.38 146.75 18.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 172.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.742 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 14.3 t70 -56.46 -42.15 77.72 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.11 -40.19 95.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.77 -62.47 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.561 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -62.07 -35.59 79.1 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 110.29 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.742 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.6 t-20 -60.46 -41.11 93.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.42 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -66.64 -27.39 67.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.952 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CZ3' ' HB ' ' A' ' 42' ' ' VAL . 37.0 m0 -64.3 -47.15 80.58 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 109.55 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.44 HG12 HG11 ' A' ' 84' ' ' VAL . 21.8 t -67.4 -37.16 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 t -63.27 -31.47 72.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.661 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.93 -29.67 58.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 110.604 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.21 -5.26 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.348 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 84' ' ' VAL . . . -63.25 -51.75 64.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 176.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 63.47 18.69 11.23 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.263 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 30.2 m170 -120.17 -67.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.949 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 80' ' ' ASP . . . 90.38 123.25 2.59 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.195 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 79' ' ' LYS . 71.4 mmtt 68.15 -38.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.514 0.726 . . . . 0.0 111.566 -172.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.58 ' HB3' ' HB3' ' A' ' 77' ' ' HIS . 15.0 t70 -84.22 77.83 9.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.73 16.11 7.25 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.457 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.74 -36.13 11.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.622 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 49.9 mttm -104.21 25.22 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.763 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 75' ' ' ALA . 86.5 t -58.02 128.33 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.62 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 35.2 p -48.52 -71.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.12 -23.25 66.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -49.97 10.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -69.5 -29.2 66.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 85' ' ' THR . 65.8 mttm -62.73 -52.73 62.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 174.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -64.05 -42.56 97.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.538 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -70.3 -40.38 74.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.262 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -74.74 -33.03 62.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.86 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 -179.038 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 121.346 0.593 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -114.0 118.33 33.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.603 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG11 ' HA2' ' A' ' 49' ' ' GLY . 26.3 m -107.43 147.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.14 0.495 . . . . 0.0 111.475 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -101.33 112.95 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.089 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.48 155.89 73.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.338 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.75 -6.02 4.13 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.379 2.719 . . . . 0.0 114.417 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.82 -12.51 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.064 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.13 10.25 61.26 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -98.98 147.17 25.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.391 -0.404 . . . . 0.0 110.525 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 pt -101.97 129.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.939 0.399 . . . . 0.0 110.277 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.3 mmm -126.68 162.09 26.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.255 0.55 . . . . 0.0 110.864 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -163.91 178.4 7.8 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.002 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 26' ' ' LEU . 15.0 tpt180 -67.36 -18.96 65.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 111.144 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.4 65.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.489 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -90.8 -14.43 31.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.476 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 23' ' ' ARG . 1.1 tm? -59.69 121.69 59.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 173.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.581 ' HG2' HG22 ' A' ' 42' ' ' VAL . 4.8 Cg_exo -33.38 109.48 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 124.276 3.317 . . . . 0.0 114.661 -173.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 13.5 Cg_exo -73.29 58.35 3.62 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 124.226 3.284 . . . . 0.0 113.018 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.39 -71.65 0.11 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.017 0.527 . . . . 0.0 111.514 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.42 -49.32 50.06 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.4 m 63.61 99.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 173.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 32' ' ' ARG . 3.8 ttm180 -69.04 110.61 4.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 30.7 mmt180 71.14 101.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.954 0.784 . . . . 0.0 112.485 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.86 102.09 12.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.619 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' ARG . 30.9 m -98.8 163.41 2.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.139 176.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.94 73.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -60.04 -37.21 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.0 mtt180 -77.13 -28.13 54.16 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.618 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.22 -54.61 37.59 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.78 0.8 . . . . 0.0 108.914 170.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG23 HD21 ' A' ' 74' ' ' LEU . 49.0 mt -63.01 -35.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.669 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -65.78 -33.78 76.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.928 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 38' ' ' ARG . 30.2 t -70.32 -55.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -58.68 -43.42 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.791 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' NE ' HG22 ' A' ' 40' ' ' ILE . 72.3 mtm180 -73.58 -35.03 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.802 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.34 -31.64 77.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.203 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 42' ' ' VAL . 26.9 m -91.84 -54.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.268 -0.548 . . . . 0.0 111.583 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.442 HG13 HG23 ' A' ' 46' ' ' VAL . 82.3 mt -63.4 -45.06 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 111.795 -174.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -96.25 -16.16 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.344 0.592 . . . . 0.0 110.167 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.577 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.49 -73.57 1.02 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.468 -0.872 . . . . 0.0 114.59 -172.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.7 mt -101.63 -76.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -163.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.37 174.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.994 0.426 . . . . 0.0 111.97 -168.715 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -70.82 165.27 23.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.056 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 51.2 tp -64.54 -19.87 65.88 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.79 72.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.598 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB3' HG13 ' A' ' 51' ' ' ILE . 34.8 tt0 -81.85 -33.98 30.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.091 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -65.63 -20.83 66.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 177.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -82.12 -45.36 15.29 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -60.85 -44.23 97.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.1 m -95.24 -52.57 4.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.447 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 28.0 m-85 -105.36 15.79 26.67 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -171.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.449 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -71.61 -16.95 76.16 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.343 -174.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 34.6 -100.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.862 0.865 . . . . 0.0 112.326 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 42.9 t -110.86 130.11 55.67 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.1 -43.26 77.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 110.058 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -64.45 -34.07 77.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.723 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 31.4 tt0 -66.7 -51.73 52.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.684 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.51 -38.45 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.066 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.0 -42.85 94.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -63.9 -25.53 68.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.445 -175.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.455 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 50.3 m0 -70.57 -45.59 65.12 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 109.968 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.51 -41.22 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.819 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.3 p -69.21 -27.43 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.751 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.73 61.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.409 0.624 . . . . 0.0 109.955 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD21 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -78.73 -39.98 34.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.121 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.81 69.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.787 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 71.19 -52.92 0.68 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.657 0.783 . . . . 0.0 110.543 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -86.76 93.96 9.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.844 172.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.67 62.88 2.74 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.173 -0.537 . . . . 0.0 111.961 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -163.84 -54.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 109.841 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.07 -73.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.973 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . 60.4 19.02 8.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.686 176.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -88.0 -46.03 9.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.087 0.47 . . . . 0.0 110.201 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.77 5.94 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.886 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.0 t -72.78 111.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.411 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -47.86 -51.88 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.865 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.7 tm? -88.6 -46.88 8.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -171.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -61.93 -38.33 88.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.245 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.55 -43.14 70.13 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -60.13 -46.66 88.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.005 0.431 . . . . 0.0 110.155 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.0 -45.56 73.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.494 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.4 -42.5 98.82 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.172 0.511 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.829 179.113 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 121.238 0.542 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -69.2 107.21 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.675 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HA2' ' A' ' 49' ' ' GLY . 18.1 m -79.62 136.74 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.761 -170.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -96.23 104.94 16.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.557 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.883 HD12 ' HB2' ' A' ' 19' ' ' SER . 57.1 mt -61.73 133.69 93.67 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.507 177.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 36.5 Cg_exo -59.36 -10.48 10.96 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.05 2.5 . . . . 0.0 112.07 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.73 -22.52 40.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.42 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.3 55.4 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.324 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.883 ' HB2' HD12 ' A' ' 15' ' ' LEU . 11.9 m -152.47 149.94 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.978 0.418 . . . . 0.0 110.188 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.06 119.64 59.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.927 -176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.0 mmm -120.26 140.6 50.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.995 0.426 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 24' ' ' ALA . 10.3 t -164.19 -178.37 5.5 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.478 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.0 -17.58 64.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.705 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.434 ' H ' HG23 ' A' ' 22' ' ' THR . . . -88.04 -14.14 39.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 111.415 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -106.24 -21.03 13.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.143 0.496 . . . . 0.0 110.46 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD21 ' HA3' ' A' ' 45' ' ' GLY . 84.9 mt -74.96 128.28 85.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.913 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.558 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 86.1 Cg_exo -52.53 117.71 3.94 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 111.187 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 27' ' ' PRO . 9.5 Cg_endo -52.26 -40.53 69.63 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.636 2.891 . . . . 0.0 113.457 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.47 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.728 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.475 ' HA ' ' HZ2' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -153.95 93.92 1.7 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.932 175.216 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.743 HG21 ' HD3' ' A' ' 38' ' ' ARG . 15.4 t -69.83 172.55 7.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.562 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -89.48 108.18 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 69.97 94.12 0.08 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.791 -175.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.475 ' HZ2' ' HA ' ' A' ' 30' ' ' ASN . 82.2 m95 -73.49 80.27 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.646 176.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 38' ' ' ARG . 27.1 m -74.58 159.96 5.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.7 -44.8 81.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 0.0 111.569 -174.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -65.69 -32.0 73.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.743 ' HD3' HG21 ' A' ' 31' ' ' THR . 8.2 ttt180 -73.87 -32.8 63.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.129 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 93.8 mttt -66.74 -46.29 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 109.717 174.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 74' ' ' LEU . 85.7 mt -58.58 -36.97 62.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.641 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.13 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.69 -53.71 38.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.529 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -58.45 -43.39 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.742 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.547 ' HE ' HD13 ' A' ' 15' ' ' LEU . 17.6 mtp180 -62.81 -43.64 98.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.792 0.33 . . . . 0.0 110.459 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.586 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -69.63 -37.96 77.71 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.8 -0.637 . . . . 0.0 113.411 -177.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' VAL . 26.8 m -78.45 -58.03 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 117.524 0.662 . . . . 0.0 111.174 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.487 ' N ' HG23 ' A' ' 46' ' ' VAL . 71.9 mt -59.62 -52.29 62.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 O-C-N 123.602 0.564 . . . . 0.0 112.151 -171.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CD2' HD23 ' A' ' 15' ' ' LEU . 79.2 t80 -92.9 -18.6 22.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.314 0.578 . . . . 0.0 110.725 -175.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.52 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -92.93 -74.2 1.26 Allowed Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.969 -172.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.99 -75.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -165.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.753 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -114.72 167.88 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.152 0.501 . . . . 0.0 111.793 -167.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.0 p -76.78 169.84 17.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.262 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.12 -23.69 66.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.471 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.17 13.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.006 0.431 . . . . 0.0 110.732 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.58 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -61.37 -40.95 96.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.505 0.669 . . . . 0.0 109.65 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -11.66 60.5 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.154 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.446 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 29.3 ttpp -93.56 -44.76 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.83 0.348 . . . . 0.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.49 -27.07 62.97 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.797 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.7 m -100.26 -56.17 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.764 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 24.7 m-85 -105.63 16.39 25.45 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 122.3 -0.25 . . . . 0.0 111.435 -174.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -60.93 -24.59 62.91 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.475 -171.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 54.6 -91.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.21 0.529 . . . . 0.0 110.362 -177.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 50.1 m -148.31 146.09 28.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -54.77 -42.5 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.493 0.187 . . . . 0.0 111.476 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.3 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.01 -57.94 10.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.576 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.33 -40.33 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.694 -175.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.72 -34.64 74.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -62.49 -34.82 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.647 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.507 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 18.5 m0 -65.75 -51.07 62.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.54 . . . . 0.0 109.734 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.467 HG12 HG11 ' A' ' 84' ' ' VAL . 23.2 t -65.94 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.455 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -67.06 -29.88 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.32 56.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 109.905 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 40' ' ' ILE . 97.4 mt -80.56 -2.97 48.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.843 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 84' ' ' VAL . . . -76.45 -27.26 56.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.524 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 68.32 -60.54 0.42 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 124.173 0.92 . . . . 0.0 109.794 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -105.69 88.73 2.9 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 171.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.94 44.03 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.977 -172.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -118.03 -37.27 3.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.788 0.327 . . . . 0.0 110.825 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.52 -32.24 22.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.848 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.81 -18.95 0.37 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.435 0.694 . . . . 0.0 112.293 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.0 mm? -82.81 3.79 28.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.067 0.461 . . . . 0.0 110.874 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -125.13 8.84 7.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.042 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 75' ' ' ALA . 52.6 t -61.49 112.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 22.9 m -55.73 -52.32 64.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.393 0.433 . . . . 0.0 111.761 -174.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.71 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 111.791 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -90.11 -40.44 12.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -173.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -61.74 -33.89 74.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.259 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 85' ' ' THR . 30.5 mtpp -70.64 -48.68 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.316 176.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -59.85 -51.28 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.628 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 91' ' ' ARG . 27.5 ttt85 -57.34 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.51 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -64.96 -35.86 82.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.096 0.474 . . . . 0.0 111.174 -179.055 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.956 0.408 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.9 tpt -99.82 149.31 23.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.51 169.74 8.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.199 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.7 mt -79.63 -26.83 41.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.958 0.408 . . . . 0.0 110.299 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -90.12 108.08 19.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.941 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -82.96 82.92 8.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.906 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.51 125.26 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.312 0.577 . . . . 0.0 111.688 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' H ' ' HD2' ' A' ' 10' ' ' PRO . 12.5 tp10 -168.4 -49.63 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.306 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' O ' ' HG3' ' A' ' 11' ' ' ARG . . . -58.83 -52.37 53.62 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 114.689 -1.141 . . . . 0.0 113.405 175.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' HD2' ' H ' ' A' ' 8' ' ' GLU . 96.9 Cg_exo -46.6 -44.42 21.37 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.775 2.317 . . . . 0.0 112.69 175.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' GLY . 67.1 mtt180 72.2 -32.05 0.24 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.977 0.798 . . . . 0.0 112.609 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.439 ' HB3' HG22 ' A' ' 22' ' ' THR . 3.4 p -130.21 145.24 51.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 0.0 111.492 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 20' ' ' ILE . 11.3 m -102.47 152.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.07 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' SER . 22.4 m -103.79 127.19 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.849 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 44' ' ' ARG . 45.6 mt -73.77 160.14 82.71 Favored Pre-proline 0 C--N 1.318 -0.798 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.56 -28.42 21.86 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.661 2.241 . . . . 0.0 112.848 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -154.58 21.78 0.47 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.866 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.71 34.61 3.26 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.746 -1.216 . . . . 0.0 114.499 -169.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 14' ' ' THR . 13.5 t 59.06 -162.17 0.25 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.855 0.36 . . . . 0.0 111.032 173.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 31.8 pt -102.09 140.78 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.325 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.0 ttp -138.45 148.7 44.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 12' ' ' SER . 48.0 p -98.25 178.36 5.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.253 0.549 . . . . 0.0 111.662 -175.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 50' ' ' LEU . 87.7 mtm180 -81.26 2.74 26.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.14 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.55 -23.34 15.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.852 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.36 8.22 39.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.446 0.641 . . . . 0.0 111.112 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.77 123.27 89.19 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.727 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HG2' HG22 ' A' ' 42' ' ' VAL . 31.6 Cg_exo -60.3 111.5 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.628 2.219 . . . . 0.0 110.971 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 2.9 Cg_exo -75.65 49.55 2.46 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.301 2.667 . . . . 0.0 112.675 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.54 -45.82 0.63 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.848 0.859 . . . . 0.0 111.769 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -71.25 -74.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 32' ' ' ARG . 2.2 m 60.48 -170.76 0.14 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.728 ' H ' HG22 ' A' ' 31' ' ' THR . 47.7 mtt180 -118.21 -73.9 0.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.777 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -112.2 121.92 46.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.504 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 96.1 m95 -85.21 93.82 8.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG23 ' H ' ' A' ' 38' ' ' ARG . 35.4 m -90.77 167.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.97 8.37 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.11 0.256 . . . . 0.0 111.493 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.5 t -57.11 -34.28 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.883 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 6.4 tpm_? -68.93 -43.42 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.301 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 34' ' ' TRP . 95.1 mttt -68.64 -50.46 51.11 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.913 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 HD21 ' A' ' 74' ' ' LEU . 1.7 mp -58.73 -34.34 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.625 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.84 73.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.489 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' HG2' ' A' ' 27' ' ' PRO . 11.9 t -67.08 -59.19 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -59.27 -42.83 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.074 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HB3' HD22 ' A' ' 15' ' ' LEU . 53.7 mtt180 -70.35 -37.11 74.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.908 0.385 . . . . 0.0 110.562 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.42 -50.64 30.94 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.825 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG23 HG13 ' A' ' 47' ' ' ILE . 30.0 m -69.85 -49.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.733 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 HG23 ' A' ' 46' ' ' VAL . 67.5 mt -73.12 -44.6 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.873 -172.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -91.12 -26.73 18.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.012 0.434 . . . . 0.0 110.887 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.06 -53.27 1.03 Allowed Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.413 -0.899 . . . . 0.0 114.266 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 23' ' ' ARG . 3.7 mm? -105.68 -76.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -165.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -131.66 -172.84 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.339 0.59 . . . . 0.0 112.23 -164.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.9 p -86.1 171.14 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.384 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 34.3 tp -72.4 -12.08 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.926 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -51.93 57.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.169 0.509 . . . . 0.0 109.84 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.49 ' HB2' HG13 ' A' ' 51' ' ' ILE . 74.8 mm-40 -73.84 -39.56 63.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.544 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -66.32 -18.53 65.41 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.739 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 5.8 ttpm? -89.84 -38.46 13.74 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.468 176.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.67 -36.36 70.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.653 0.263 . . . . 0.0 111.111 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -92.16 -57.46 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 56' ' ' ALA . 38.5 m-85 -105.21 15.27 27.72 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -171.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -73.62 -19.84 79.75 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.876 -171.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.559 HD21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 36.75 -102.76 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.599 0.759 . . . . 0.0 112.045 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 20.3 m -113.14 133.77 54.87 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 171.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.84 -40.04 91.34 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.259 -0.177 . . . . 0.0 111.324 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.5 -33.63 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 60.8 tt0 -61.81 -48.43 80.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.926 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -60.3 -41.45 93.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.035 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.99 -38.94 90.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.105 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 m -63.54 -28.9 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.559 ' HH2' HD21 ' A' ' 62' ' ' LEU . 45.4 m0 -69.93 -47.37 62.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.255 0.55 . . . . 0.0 109.623 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.24 -38.58 82.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.3 t -61.88 -35.73 79.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.43 -30.54 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.239 0.543 . . . . 0.0 110.243 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD21 HG13 ' A' ' 40' ' ' ILE . 93.4 mt -84.08 -11.59 56.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.473 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.53 -56.74 4.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 67.6 -61.22 0.37 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.886 0.741 . . . . 0.0 110.883 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -101.47 112.38 24.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.01 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.94 54.03 0.68 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.984 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -88.28 -48.73 7.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.396 0.617 . . . . 0.0 109.482 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.3 m-20 -87.15 -35.03 18.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.91 -12.99 0.36 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.886 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' A' ' 91' ' ' ARG . 48.5 tp -104.68 -9.64 18.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.297 0.57 . . . . 0.0 109.791 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -86.93 7.17 28.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.04 123.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 m -44.54 -54.44 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.37 68.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.026 0.441 . . . . 0.0 111.782 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.51 -39.64 13.19 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.47 -39.0 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.924 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 28.6 mmtp -72.31 -41.89 66.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.448 ' O ' HD13 ' A' ' 94' ' ' LEU . 87.8 t80 -69.42 -14.98 63.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 111.084 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.503 ' HG2' HD11 ' A' ' 82' ' ' LEU . 18.3 tpt85 -99.99 -44.8 5.9 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.158 -0.338 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -70.6 -36.25 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.359 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.51 -27.68 66.37 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.719 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.0 mp -69.46 -23.85 63.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.772 0.32 . . . . 0.0 111.397 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.72 86.67 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.296 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 68.94 103.11 0.06 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.906 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.45 -67.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.695 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -161.87 -160.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -154.8 108.12 2.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.164 0.507 . . . . 0.0 109.907 171.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -74.15 123.87 25.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.841 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.541 178.579 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 tpp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.6 mtt -87.6 145.68 26.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.904 0.383 . . . . 0.0 110.107 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -110.58 26.93 10.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.545 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.84 69.24 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -173.41 150.36 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.944 -1.025 . . . . 0.0 108.38 -171.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 56.8 pttt -75.04 90.07 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.822 0.82 . . . . 0.0 111.232 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.8 23.08 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.809 0.814 . . . . 0.0 109.198 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -84.71 91.31 7.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.048 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.62 65.63 3.41 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.685 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.58 7.44 5.01 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.926 2.417 . . . . 0.0 112.787 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.3 mmt180 67.7 37.2 3.33 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 111.107 -178.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 p -92.69 108.91 20.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.136 172.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG11 ' HA3' ' A' ' 49' ' ' GLY . 25.6 m -92.85 148.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.458 . . . . 0.0 111.563 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 m -98.52 115.75 29.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.032 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 19' ' ' SER . 88.2 mt -82.86 160.9 59.87 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.436 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 57.4 Cg_endo -69.9 -3.56 12.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.661 2.24 . . . . 0.0 112.841 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.1 1.39 28.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.29 -10.2 56.46 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.062 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.554 ' HB2' HD12 ' A' ' 15' ' ' LEU . 17.1 m -75.38 129.18 36.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.371 . . . . 0.0 111.608 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 pt -101.55 105.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 172.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.7 ttp -114.58 128.68 56.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.396 -174.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 2.4 m -92.89 168.23 11.3 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.774 ' HA ' HD23 ' A' ' 26' ' ' LEU . 68.1 ttp85 -64.43 -6.1 6.6 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.272 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -20.51 65.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.986 0.422 . . . . 0.0 110.448 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' A' ' 21' ' ' MET . 5.5 m-20 -99.16 -5.05 30.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.808 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 23' ' ' ARG . 4.6 mm? -85.08 114.62 57.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.15 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.594 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 16.7 Cg_exo -69.23 110.63 2.49 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 123.085 2.523 . . . . 0.0 111.721 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -62.09 -46.91 11.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.372 2.048 . . . . 0.0 111.413 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -170.63 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.153 176.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -116.43 79.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.117 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 13.8 t -83.15 178.94 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.637 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -82.24 75.84 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.608 0.242 . . . . 0.0 110.685 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 69.76 134.8 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 124.233 0.958 . . . . 0.0 111.837 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.404 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 98.4 m95 -82.53 78.1 9.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 38' ' ' ARG . 34.6 m -84.25 177.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.162 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.1 83.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.342 . . . . 0.0 111.378 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 m -61.6 -30.46 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.783 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -75.43 -44.74 42.89 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.897 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -55.69 -55.4 32.65 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.276 0.56 . . . . 0.0 111.208 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG22 ' HD2' ' A' ' 44' ' ' ARG . 45.1 mt -66.21 -29.18 45.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.631 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.45 94.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.967 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.657 ' O ' HG22 ' A' ' 46' ' ' VAL . 11.7 t -62.85 -57.86 10.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -60.92 -38.53 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HD2' HG22 ' A' ' 40' ' ' ILE . 29.1 mtt180 -63.97 -51.88 62.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.791 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA3' HD11 ' A' ' 26' ' ' LEU . . . -61.17 -50.76 63.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.929 -175.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 42' ' ' VAL . 22.3 m -66.8 -64.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.993 0.397 . . . . 0.0 111.448 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.617 HG13 HG23 ' A' ' 46' ' ' VAL . 42.4 mt -62.13 -43.35 97.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 122.748 0.419 . . . . 0.0 112.013 -168.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -88.56 -40.37 13.43 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.467 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' HA3' HG11 ' A' ' 13' ' ' VAL . . . -101.15 -52.65 1.06 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.277 -0.963 . . . . 0.0 114.579 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.59 -75.27 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -166.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 55' ' ' GLU . 2.0 pp -141.21 168.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -70.99 169.45 14.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.384 0.611 . . . . 0.0 111.105 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.26 -28.55 69.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.95 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.73 79.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.065 0.46 . . . . 0.0 110.45 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.55 ' HB2' HD13 ' A' ' 51' ' ' ILE . 7.4 mm-40 -72.59 -44.08 62.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -55.43 -49.66 71.83 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.194 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -55.71 -47.32 77.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.644 0.259 . . . . 0.0 110.571 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -60.85 -42.36 97.67 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.0 m -100.29 -53.2 3.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 112.064 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 32.5 m-85 -105.53 15.63 26.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.049 -173.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -72.35 -23.5 77.84 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.213 -175.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 44.05 -97.95 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.526 0.73 . . . . 0.0 111.214 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -115.94 127.33 54.88 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 166.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.44 -40.72 62.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 123.293 0.37 . . . . 0.0 110.829 -174.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.23 -36.15 83.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.262 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.96 -51.78 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -62.81 -45.97 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.398 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.41 -37.07 72.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.71 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -62.68 -35.97 81.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -66.08 -46.89 76.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.16 0.505 . . . . 0.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.64 -42.46 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.015 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -62.31 -35.72 79.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.509 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.37 72.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -77.28 -27.76 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.522 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.556 ' HA ' HG21 ' A' ' 84' ' ' VAL . . . -85.73 8.13 20.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.239 -175.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.8 58.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.9 p80 58.73 16.53 4.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.349 176.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.74 10.13 50.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 13.9 tmtt? -92.56 -45.97 7.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.983 0.42 . . . . 0.0 110.536 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.59 24.9 9.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.212 0.53 . . . . 0.0 110.674 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.88 -6.88 13.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.734 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -99.54 0.98 43.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD2' ' O ' ' A' ' 83' ' ' LYS . 3.4 tmmm? -114.37 -34.84 5.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.826 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 75' ' ' ALA . 40.7 t -59.5 114.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.596 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -55.34 -43.32 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.26 82.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.148 0.499 . . . . 0.0 111.538 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.66 -41.46 14.2 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -59.08 -36.37 74.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.014 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -64.54 -52.11 59.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -57.96 -45.67 86.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 91' ' ' ARG . 6.6 tpt180 -66.89 -41.6 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.204 -176.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -77.87 -27.86 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.028 0.442 . . . . 0.0 110.624 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.72 -34.77 78.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.65 -21.1 22.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.621 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.507 ' HG3' ' H ' ' A' ' 97' ' ' HIS . 9.1 tp10 73.73 153.03 0.13 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.018 0.824 . . . . 0.0 110.873 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -75.09 -33.83 61.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.526 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.507 ' H ' ' HG3' ' A' ' 95' ' ' GLU . 33.5 m-70 -104.13 93.72 4.99 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -97.43 -28.11 14.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.693 -171.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -147.17 17.19 1.2 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -160.97 150.88 17.37 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.358 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.056 171.067 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.872 0.368 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.8 ttt -154.45 115.56 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.307 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.533 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 75.1 m-85 -94.22 87.03 5.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.248 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.3 tp -107.18 -49.57 3.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.354 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -81.78 0.27 39.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.666 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' A' ' 3' ' ' PHE . 40.8 ttmt -162.78 104.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.82 37.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 122.308 1.051 . . . . 0.0 110.024 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -82.72 5.25 21.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.002 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.86 -61.81 0.56 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.358 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.14 133.24 17.7 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.631 2.22 . . . . 0.0 112.895 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -103.76 77.99 1.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.78 173.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 p -162.16 157.14 22.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.524 HG11 ' HA2' ' A' ' 49' ' ' GLY . 2.3 m -112.84 118.61 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.467 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.647 ' HA ' ' O ' ' A' ' 19' ' ' SER . 23.9 m -77.9 115.54 17.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.392 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 18' ' ' GLY . 37.6 mt -66.4 154.34 90.9 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.6 -30.79 9.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.312 2.674 . . . . 0.0 112.622 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -142.39 11.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 15' ' ' LEU . . . -116.47 24.78 9.55 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.584 -1.293 . . . . 0.0 114.286 -166.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.647 ' O ' ' HA ' ' A' ' 14' ' ' THR . 61.1 m 62.46 -172.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.976 0.417 . . . . 0.0 111.602 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 20' ' ' ILE . 12.1 pt -76.82 106.62 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.39 0.614 . . . . 0.0 110.643 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.4 ttt -96.13 124.22 40.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.773 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -102.34 160.66 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -72.02 -5.58 36.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.011 0.434 . . . . 0.0 110.707 -178.31 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.71 -13.97 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.093 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.02 -0.93 57.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' A' ' 23' ' ' ARG . 79.8 mt -81.65 129.08 66.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.745 -175.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.666 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 71.7 Cg_exo -49.07 125.02 12.47 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.875 3.05 . . . . 0.0 112.362 171.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.73 41.13 0.77 Allowed 'Trans proline' 0 N--CA 1.472 0.236 0 C-N-CA 123.459 2.773 . . . . 0.0 113.204 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.58 -60.43 0.47 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.757 0.661 . . . . 0.0 111.191 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -94.53 48.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.29 0.567 . . . . 0.0 109.883 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.666 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.3 m -51.21 131.67 28.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.954 177.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -84.2 -11.55 56.33 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.98 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.4 mpt_? -126.15 85.85 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.408 176.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -89.09 66.83 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.98 0.419 . . . . 0.0 110.642 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 m -80.17 159.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -55.46 -49.28 72.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.191 0.307 . . . . 0.0 110.942 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m -58.59 -28.05 65.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.656 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 42' ' ' VAL . 18.8 ttm180 -81.69 -44.78 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.335 -0.228 . . . . 0.0 111.251 -176.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' HG23 ' A' ' 42' ' ' VAL . 14.8 ptpt -68.38 -33.37 74.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.876 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 74' ' ' LEU . 29.4 mm -62.77 -35.7 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.088 0.47 . . . . 0.0 110.085 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.67 69.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 27' ' ' PRO . 28.4 t -61.33 -54.35 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -60.2 -41.28 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.153 178.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 44' ' ' ARG . 53.2 mtt180 -62.71 -47.35 84.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.712 0.291 . . . . 0.0 110.625 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.4 -38.1 93.29 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.289 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.579 HG23 HG13 ' A' ' 47' ' ' ILE . 28.1 m -78.76 -59.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.421 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.579 HG13 HG23 ' A' ' 46' ' ' VAL . 70.2 mt -65.58 -47.78 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.021 0.439 . . . . 0.0 111.872 -172.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -85.0 -25.04 27.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.353 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.524 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.21 -75.33 1.13 Allowed Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.5 -0.857 . . . . 0.0 115.036 -169.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 23' ' ' ARG . 8.0 mp -106.31 -76.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -162.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.24 173.84 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.55 . . . . 0.0 112.33 -166.018 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -79.69 171.42 15.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.374 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 67' ' ' PHE . 35.0 tp -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.198 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.54 -53.81 53.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.5 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -64.24 -43.85 93.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 0.0 109.815 -179.384 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.43 -9.68 57.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.735 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -94.55 -44.78 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.362 . . . . 0.0 110.364 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 -30.56 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.67 0.272 . . . . 0.0 110.923 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.4 m -100.25 -54.4 2.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.9 m-85 -106.1 17.09 24.06 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.7 -29.49 49.41 Favored Glycine 0 C--N 1.331 0.266 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 -169.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 52.25 -91.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 121.681 0.753 . . . . 0.0 110.531 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 40.3 m -148.05 144.4 27.87 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.43 -47.92 72.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.988 0.18 . . . . 0.0 111.472 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 3.1 tp10 -62.89 -35.84 81.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 111.225 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.28 -54.79 43.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 53' ' ' LEU . 38.2 t80 -62.08 -38.85 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.547 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -57.99 -41.13 82.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.0 m -61.81 -34.56 76.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.02 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -64.78 -54.81 25.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 109.92 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.69 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.932 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 t -63.67 -34.41 77.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 110.675 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.85 -32.94 46.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.115 0.483 . . . . 0.0 110.294 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 40' ' ' ILE . 89.3 mt -79.0 -19.45 51.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.949 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.86 -11.43 59.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.356 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.24 -67.36 0.22 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.353 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -88.28 -44.87 10.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.902 0.382 . . . . 0.0 110.566 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.46 -142.23 33.59 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 69.16 -65.68 0.28 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.649 0.78 . . . . 0.0 111.387 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.415 ' OD2' ' HD2' ' A' ' 83' ' ' LYS . 10.6 t70 -84.96 -55.84 3.86 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.515 -177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 67.99 1.0 2.57 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.235 -0.893 . . . . 0.0 113.011 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.0 tp -88.67 -35.04 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.045 0.45 . . . . 0.0 110.447 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD2' ' OD2' ' A' ' 80' ' ' ASP . 8.3 mptt -93.92 5.52 51.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.43 125.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -51.79 -47.86 64.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.79 70.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 87' ' ' LEU . 2.7 tm? -89.67 -38.7 13.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -173.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.18 -45.91 75.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.8 174.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 36.6 mtpt -67.1 -41.42 86.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.75 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.484 ' O ' HD13 ' A' ' 94' ' ' LEU . 58.0 t80 -57.42 -51.79 67.99 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.404 0.44 . . . . 0.0 110.434 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -69.41 -45.35 69.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.59 -29.04 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp -72.01 -40.19 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.541 0.21 . . . . 0.0 110.722 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.1 mp -70.82 -42.9 69.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -67.01 -59.12 3.75 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 69.97 -8.23 0.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.537 171.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -142.91 119.92 11.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.682 0.277 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -85.72 3.29 41.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.7 t60 77.75 -50.14 0.51 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 114.673 -1.149 . . . . 0.0 112.009 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -164.41 33.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.282 0.563 . . . . 0.0 110.283 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.677 -179.083 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -78.01 0.42 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.25 -176.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 88.6 m-85 -90.5 -11.36 40.46 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -174.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 8.9 mp 66.57 15.81 10.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.383 0.611 . . . . 0.0 110.379 -175.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -168.92 122.09 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -79.66 113.54 17.89 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.58 68.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.038 174.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -117.35 -68.48 0.92 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.059 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.69 75.94 0.41 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.431 174.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.44 119.92 7.37 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.732 2.288 . . . . 0.0 111.708 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -87.18 -23.37 24.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.466 ' HB2' HG22 ' A' ' 22' ' ' THR . 20.8 t -136.03 145.22 45.82 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.613 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.3 m -116.37 139.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.58 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -93.91 107.52 19.41 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.01 139.72 88.05 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.07 -6.54 5.11 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 123.115 2.543 . . . . 0.0 111.479 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.48 -24.91 62.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.771 176.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.81 1.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.675 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -159.04 135.54 9.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 pt -91.2 127.74 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.302 0.572 . . . . 0.0 110.546 176.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.7 mmm -122.67 142.39 50.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 12' ' ' SER . 66.6 p -114.64 171.4 7.66 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -31.27 70.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.25 62.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.933 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -76.9 -23.28 52.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.41 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD21 ' HA3' ' A' ' 45' ' ' GLY . 91.7 mt -70.28 131.95 88.24 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.489 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.642 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 19.1 Cg_exo -38.41 119.05 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 124.318 3.346 . . . . 0.0 113.322 176.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.24 47.72 2.11 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.36 2.707 . . . . 0.0 112.915 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.97 -51.53 0.68 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.742 0.817 . . . . 0.0 111.743 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -64.79 -77.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 4.8 m 65.22 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.995 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -86.56 108.97 18.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.012 0.434 . . . . 0.0 111.612 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 34' ' ' TRP . 30.4 ttp180 76.61 -35.37 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.863 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.48 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 81.5 m95 68.74 100.23 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.029 0.442 . . . . 0.0 111.776 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' ARG . 26.9 m -90.74 154.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -60.94 -40.39 93.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.9 t -58.36 -34.57 70.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.802 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.9 ttm-85 -80.39 -30.06 37.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.688 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 24.7 mtpp -64.71 -46.93 80.19 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.444 HG23 HD21 ' A' ' 74' ' ' LEU . 74.9 mt -62.58 -31.95 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.5 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.28 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.197 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -67.37 -55.79 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.831 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.471 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -58.49 -41.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.744 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 48' ' ' TYR . 72.1 mtm180 -71.14 -33.79 70.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.804 0.335 . . . . 0.0 110.694 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.82 -47.96 36.9 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.819 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 47' ' ' ILE . 29.5 m -72.92 -50.76 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 122.677 -0.308 . . . . 0.0 111.798 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.614 HG13 HG23 ' A' ' 46' ' ' VAL . 84.5 mt -72.34 -40.75 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 111.838 -172.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.553 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 88.4 t80 -88.75 -26.75 21.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 0.0 111.076 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.45 -57.28 0.84 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.611 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB3' HG23 ' A' ' 51' ' ' ILE . 3.5 mm? -106.1 -75.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -164.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -135.16 -173.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.115 0.483 . . . . 0.0 112.289 -164.558 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.469 ' HB ' ' OH ' ' A' ' 90' ' ' TYR . 44.8 p -90.04 177.74 6.38 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.224 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 67' ' ' PHE . 46.3 tp -70.78 -19.81 62.66 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.592 0.234 . . . . 0.0 110.753 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.37 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HB2' HG13 ' A' ' 51' ' ' ILE . 4.7 mp0 -70.7 -38.93 73.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.141 0.496 . . . . 0.0 110.125 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -72.23 -6.63 44.3 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.352 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.436 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 37.2 ttmt -92.82 -41.11 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -58.48 -44.4 89.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.034 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 m -96.68 -53.38 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.905 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 44.1 m-85 -106.93 16.52 24.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -171.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -55.96 -37.44 70.64 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 50.3 -92.53 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 -174.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.405 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 22.6 m -143.02 147.13 34.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.139 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.11 -48.38 81.93 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.782 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.03 -38.09 78.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.14 -61.8 2.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.456 ' CE1' HD13 ' A' ' 53' ' ' LEU . 28.7 t80 -60.28 -42.38 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -65.46 -30.59 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.2 t -62.91 -32.73 74.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.471 ' HE3' HG13 ' A' ' 43' ' ' VAL . 21.6 m0 -68.65 -49.24 60.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 109.986 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.35 -38.42 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.27 -34.16 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.939 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -32.97 65.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.179 0.514 . . . . 0.0 110.269 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD21 HG23 ' A' ' 40' ' ' ILE . 96.5 mt -79.48 -10.65 59.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.647 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -97.3 7.06 47.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.777 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 8.0 tp10 70.2 -82.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.614 0.571 . . . . 0.0 109.782 -176.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -135.11 -2.7 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.304 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.06 -82.07 0.54 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.188 -0.53 . . . . 0.0 112.18 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 69.96 -66.57 0.27 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.505 1.122 . . . . 0.0 111.559 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.16 -36.33 9.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.398 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 64.34 20.11 12.04 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.652 0.595 . . . . 0.0 110.956 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -108.71 -33.25 7.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.538 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -104.09 5.77 35.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.092 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.09 105.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.327 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.4 m -45.4 -59.6 2.6 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.826 0.704 . . . . 0.0 112.875 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.64 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.86 -42.36 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -174.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -60.51 -38.17 83.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.848 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -74.37 -38.35 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.468 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.656 ' O ' HD13 ' A' ' 94' ' ' LEU . 70.3 t80 -61.64 -31.11 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.02 0.438 . . . . 0.0 110.7 177.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -89.77 -40.67 12.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.14 -26.32 63.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.817 0.342 . . . . 0.0 111.45 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.89 -16.49 61.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.374 0.607 . . . . 0.0 110.261 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.0 mp -105.19 38.28 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.787 176.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.36 160.39 6.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.323 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -101.37 -11.19 19.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.612 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -96.8 85.45 3.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.991 0.9 . . . . 0.0 108.772 168.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -74.34 -8.1 55.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.76 -169.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 16.4 t60 -111.94 29.4 7.9 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 27.4 m80 70.62 -67.25 0.25 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.81 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.845 -0.597 . . . . 0.0 109.513 -179.344 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -60.51 102.63 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.745 0.307 . . . . 0.0 111.261 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -106.59 179.86 4.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 6' ' ' LYS . 6.7 mp -94.86 -156.84 0.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -80.38 23.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.251 0.548 . . . . 0.0 110.515 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 4' ' ' LEU . 22.5 ttpp -141.52 136.61 31.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.363 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.917 ' HB ' ' HD3' ' A' ' 10' ' ' PRO . 23.5 t -67.46 155.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -40.84 81.7 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.151 0.282 . . . . 0.0 111.654 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.15 67.02 0.28 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.334 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.917 ' HD3' ' HB ' ' A' ' 7' ' ' VAL . 4.8 Cg_endo -47.19 112.99 0.59 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.233 2.622 . . . . 0.0 112.794 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.702 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -92.27 -1.66 56.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.907 179.28 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -140.21 136.39 33.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.901 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.76 136.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.02 -176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -100.18 110.06 22.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.798 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD13 HH11 ' A' ' 44' ' ' ARG . 91.1 mt -81.77 146.84 57.23 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.014 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -62.84 -3.53 4.73 Favored 'Trans proline' 0 N--CA 1.478 0.59 0 C-N-CA 123.334 2.69 . . . . 0.0 113.583 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.14 -1.32 57.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.03 39.57 10.02 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 128.06 36.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.62 126.74 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.084 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.9 mtp -120.8 143.85 48.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.708 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -101.45 177.85 4.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.865 0.365 . . . . 0.0 110.326 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' A' ' 50' ' ' LEU . 34.6 ttp-105 -73.84 -1.92 21.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.993 0.425 . . . . 0.0 110.855 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.55 0.44 20.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.163 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.59 0.37 55.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.754 0.311 . . . . 0.0 111.504 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HA3' ' A' ' 45' ' ' GLY . 78.6 mt -83.43 134.04 46.09 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.639 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 84.4 Cg_exo -51.48 111.55 0.61 Allowed 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.967 2.445 . . . . 0.0 112.132 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 31.4 Cg_exo -60.99 -48.56 10.09 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.046 2.498 . . . . 0.0 112.745 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -172.49 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.769 0.795 . . . . 0.0 109.873 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.49 -46.07 12.89 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.396 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.639 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 32.4 m 69.63 120.88 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.982 0.802 . . . . 0.0 111.012 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 4.6 ttp180 -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -157.37 115.56 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.817 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -78.86 116.92 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 38' ' ' ARG . 35.3 m -119.98 173.87 5.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 168.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.36 99.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.862 0.363 . . . . 0.0 110.68 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -66.56 -24.18 66.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.179 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HD2' ' HG3' ' A' ' 27' ' ' PRO . 19.5 tpp180 -72.73 -40.69 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.145 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.4 mttt -65.95 -45.12 82.94 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.186 0.517 . . . . 0.0 110.479 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.09 -35.62 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.227 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.41 -30.77 71.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.316 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG22 ' HG2' ' A' ' 27' ' ' PRO . 18.9 t -66.02 -55.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -62.88 -35.53 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.537 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.843 HH11 HD13 ' A' ' 15' ' ' LEU . 49.6 mtt180 -66.62 -48.98 67.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.097 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -67.15 -30.27 75.49 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.534 -174.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 47' ' ' ILE . 27.5 m -84.33 -57.75 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 HG23 ' A' ' 46' ' ' VAL . 82.6 mt -67.15 -47.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.97 0.414 . . . . 0.0 111.961 -172.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -90.8 -16.13 28.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.205 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.83 -75.32 1.11 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.282 -0.961 . . . . 0.0 114.567 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' HG3' ' A' ' 23' ' ' ARG . 68.9 mt -107.56 -76.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -163.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.652 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -119.49 -174.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.11 0.481 . . . . 0.0 112.293 -165.452 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -86.43 171.88 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.134 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.57 -22.37 66.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.375 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.46 -58.12 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' HG13 ' A' ' 51' ' ' ILE . 24.4 tp10 -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.101 0.476 . . . . 0.0 110.513 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.47 69.34 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.347 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.509 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.6 ttpp -83.27 -41.71 18.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.015 0.436 . . . . 0.0 110.254 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.49 -38.1 86.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -97.45 -57.31 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.714 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -98.61 15.0 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.43 -173.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -76.22 -10.73 85.34 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.563 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.491 HD11 ' CH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 41.9 -97.34 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.507 0.723 . . . . 0.0 111.69 178.554 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.5 p -120.8 143.54 48.79 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.81 -37.22 70.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.887 0.375 . . . . 0.0 111.192 -172.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.33 -34.69 65.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.581 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -64.08 -46.47 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.351 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.29 -41.78 99.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.974 0.416 . . . . 0.0 110.05 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -69.01 -27.18 65.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -61.87 -40.13 94.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.323 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.491 ' CH2' HD11 ' A' ' 62' ' ' LEU . 28.2 m0 -62.97 -52.0 64.7 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 109.962 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.28 -37.19 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.707 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 m -65.29 -36.66 84.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.53 58.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.375 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.9 mt -80.74 -8.92 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.584 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.94 -12.81 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.191 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 67.16 -57.59 0.42 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.322 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -82.83 -57.19 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.323 0.582 . . . . 0.0 110.173 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 10.72 85.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.601 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 43.1 mtpt -115.29 -39.09 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.451 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.86 -47.82 64.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.732 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 57.81 21.01 7.04 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.607 0.567 . . . . 0.0 111.254 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.99 -41.06 4.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 -172.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 83.6 tttt -109.74 24.53 12.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.584 0.707 . . . . 0.0 110.528 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.1 t -76.07 97.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.4 m -54.42 -49.24 70.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.505 0.503 . . . . 0.0 112.023 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.2 80.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.014 0.435 . . . . 0.0 111.75 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -86.63 -45.61 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -173.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.69 -32.88 74.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.592 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -67.93 -50.29 56.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 64.7 t80 -54.36 -52.06 62.81 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.952 0.783 . . . . 0.0 110.436 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -60.14 -51.27 70.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -85.63 0.41 52.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 111.742 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp -93.17 -26.69 17.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 78.6 mt -78.85 -29.28 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.763 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -89.32 105.81 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.075 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.6 97.05 10.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.019 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -89.84 132.03 35.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.71 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -116.34 17.84 15.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.46 174.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -63.03 -49.62 73.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -173.26 149.99 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.577 178.869 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.259 0.076 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 20.2 mmt 59.35 82.68 0.14 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.043 0.449 . . . . 0.0 110.917 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -107.59 112.58 25.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.41 0.624 . . . . 0.0 111.062 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.9 mm? -95.22 -23.33 17.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -91.0 -170.28 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.41 173.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 14.8 ptpt -106.89 108.91 20.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.639 0.733 . . . . 0.0 111.697 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -102.29 7.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 122.436 1.113 . . . . 0.0 108.536 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -88.09 86.74 7.15 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.225 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.36 66.82 1.98 Allowed Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.784 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.88 -155.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.764 2.309 . . . . 0.0 112.375 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HE ' ' HA ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -94.99 -47.38 6.43 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.966 0.413 . . . . 0.0 110.585 178.364 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' MET . 25.5 t -113.3 140.03 48.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 175.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.3 m -130.73 150.22 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.587 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -96.79 103.78 15.72 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.13 141.4 97.39 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.353 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HG2' HG21 ' A' ' 85' ' ' THR . 27.8 Cg_exo -62.79 -6.12 8.61 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.059 2.506 . . . . 0.0 111.79 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -78.29 -20.44 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.055 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.99 39.95 2.77 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.906 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -139.16 133.13 31.02 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.689 0.28 . . . . 0.0 110.604 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 pt -92.32 112.39 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.276 0.56 . . . . 0.0 109.509 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.453 ' O ' ' HA ' ' A' ' 12' ' ' SER . 9.8 tpt -103.16 132.19 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.653 -172.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -121.42 175.32 6.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.797 0.332 . . . . 0.0 110.286 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -67.56 -23.16 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.247 0.546 . . . . 0.0 109.865 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.62 -8.35 59.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.757 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -96.42 1.11 51.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.582 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.537 HD21 ' HA3' ' A' ' 45' ' ' GLY . 94.7 mt -99.87 135.26 20.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.572 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.0 Cg_exo -65.06 108.35 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 123.2 2.6 . . . . 0.0 110.512 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.515 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 60.1 Cg_endo -73.16 61.1 3.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.95 2.434 . . . . 0.0 112.368 -176.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.59 9.43 5.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.005 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -166.22 113.69 0.89 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 122.211 1.005 . . . . 0.0 109.727 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.572 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 9.6 t -118.69 159.47 23.58 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.357 168.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.5 mmp_? -68.57 -24.7 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -160.71 134.05 6.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.114 0.483 . . . . 0.0 110.941 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.677 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 97.5 m95 -90.28 80.41 6.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.9 m -78.55 155.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.26 71.16 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 111.66 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -59.16 -39.6 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 42' ' ' VAL . 13.7 ttt180 -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.471 -175.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.677 ' HD3' ' HB3' ' A' ' 34' ' ' TRP . 10.1 mmmm -65.15 -51.1 63.21 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.606 HD12 HD21 ' A' ' 74' ' ' LEU . 46.7 mm -61.0 -37.2 76.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.683 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.23 80.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.415 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 38' ' ' ARG . 21.3 t -62.64 -54.56 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -52.07 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.79 -37.53 87.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.577 0.227 . . . . 0.0 110.924 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.537 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.72 -43.48 59.54 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.989 -178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 42' ' ' VAL . 35.0 m -78.65 -46.58 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 117.133 0.467 . . . . 0.0 111.832 -177.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 HG23 ' A' ' 46' ' ' VAL . 63.1 mt -72.6 -53.98 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.963 0.411 . . . . 0.0 111.567 -174.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.625 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 34.7 t80 -87.61 -17.63 31.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -173.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.93 -56.12 0.9 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.512 -0.851 . . . . 0.0 114.102 -174.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -103.67 -71.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -168.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.543 HD13 ' HB3' ' A' ' 55' ' ' GLU . 1.6 pp -142.82 -172.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -166.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.58 157.73 31.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.03 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB3' ' OH ' ' A' ' 90' ' ' TYR . 44.7 tp -58.24 -29.39 65.71 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -177.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.78 -48.13 78.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.604 0.24 . . . . 0.0 111.322 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HB3' HD13 ' A' ' 51' ' ' ILE . 16.9 tp10 -66.71 -46.48 75.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 0.0 110.871 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -9.71 58.13 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.737 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 39.4 ttmt -88.52 -40.76 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 82.2 mm-40 -67.11 -27.39 67.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.256 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.9 m -100.38 -62.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.788 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.515 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 27.0 m-85 -106.03 15.18 26.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -174.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -63.38 -21.88 64.92 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 114.905 0.722 . . . . 0.0 114.905 -167.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.516 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 55.18 -97.05 0.07 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -176.09 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.516 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m -129.55 141.82 50.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 166.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.47 -49.7 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.319 0.387 . . . . 0.0 110.969 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.56 -39.47 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.01 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -69.51 -49.48 54.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.92 -41.62 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.402 . . . . 0.0 110.193 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.46 -18.57 62.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.625 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -70.07 -29.53 66.55 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.788 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.488 ' CH2' HD11 ' A' ' 62' ' ' LEU . 47.6 m0 -66.35 -45.87 78.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.7 t -66.0 -30.8 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.169 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -67.3 -33.85 76.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.81 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.292 0.568 . . . . 0.0 110.267 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD21 HD12 ' A' ' 40' ' ' ILE . 96.0 mt -90.61 -2.57 57.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.842 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.72 84.01 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.131 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.699 ' HB3' ' HD3' ' A' ' 79' ' ' LYS . 38.6 mt-10 55.4 24.27 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.146 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 2.3 m80 -69.41 -23.52 63.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 174.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.26 -13.17 70.13 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.273 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.699 ' HD3' ' HB3' ' A' ' 76' ' ' GLU . 36.4 mtpt -97.15 -73.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.226 0.536 . . . . 0.0 110.371 178.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -132.5 -30.56 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.098 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 77' ' ' HIS . . . 74.93 0.09 3.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.48 0.712 . . . . 0.0 112.264 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -117.93 156.82 27.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 67.81 -4.17 1.03 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.53 106.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.532 HG21 ' HG2' ' A' ' 16' ' ' PRO . 24.2 p -55.2 -63.46 1.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.776 -171.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -34.83 61.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.35 -51.91 7.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -173.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 63.1 tttm -63.58 -36.18 82.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.23 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HG3' ' HE1' ' A' ' 48' ' ' TYR . 29.0 mmtp -73.56 -35.21 65.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.322 -178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.457 ' OH ' ' HB3' ' A' ' 53' ' ' LEU . 37.0 t80 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.53 ' HA ' ' HB2' ' A' ' 94' ' ' LEU . 22.2 mtp180 -80.87 -30.71 35.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.439 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 19.4 tp60 -67.61 -33.85 75.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.089 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.5 tp -90.51 -18.19 25.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.535 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 91' ' ' ARG . 6.6 tp -62.74 -41.13 99.05 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.5 145.28 25.83 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 167.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -80.29 75.52 7.09 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.765 -172.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -136.97 86.53 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.711 173.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -95.52 41.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.56 0.695 . . . . 0.0 110.358 -176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -79.41 81.58 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.779 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -95.82 175.3 6.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.813 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.772 178.648 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.524 ' HG2' ' H ' ' A' ' 2' ' ' MET . 23.1 ttt . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.524 ' H ' ' HG2' ' A' ' 1' ' ' MET . 64.3 mtt 71.64 101.16 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.571 0.544 . . . . 0.0 110.632 -178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -137.21 132.67 34.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.16 0.505 . . . . 0.0 111.186 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -104.73 8.68 35.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.14 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.546 ' HG3' ' H ' ' A' ' 6' ' ' LYS . 10.2 ptp180 -152.82 -65.02 0.16 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.021 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 5' ' ' ARG . 9.4 tmtt? -176.23 94.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -170.23 88.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 122.013 0.911 . . . . 0.0 110.806 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.5 -28.75 56.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.701 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.462 ' H ' ' HD3' ' A' ' 10' ' ' PRO . . . 138.01 62.18 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.054 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD3' ' H ' ' A' ' 9' ' ' GLY . 74.3 Cg_endo -76.25 112.27 3.44 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.311 2.007 . . . . 0.0 112.807 -173.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -70.39 -34.84 73.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.41 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.71 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.3 p -111.81 123.27 49.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.345 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.78 153.79 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.0 m -102.5 108.71 20.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.47 161.38 79.39 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.85 11.4 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.128 2.552 . . . . 0.0 113.143 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -99.4 -7.78 25.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 109.474 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.43 15.42 68.78 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -104.48 150.58 24.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.753 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 pt -100.17 130.13 49.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 ttm -126.06 119.57 27.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.921 175.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 4.4 m -89.85 154.92 19.51 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -69.34 -8.29 44.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.066 0.46 . . . . 0.0 110.518 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.61 -10.45 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.778 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -88.06 -13.47 41.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 109.795 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.77 148.19 47.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.471 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.622 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 76.3 Cg_exo -47.67 109.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.244 2.629 . . . . 0.0 111.075 166.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.72 -38.17 90.38 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.638 2.225 . . . . 0.0 112.42 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -176.93 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.067 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -129.34 87.44 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.258 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.622 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 5.6 m -67.05 125.55 26.37 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 169.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -73.43 -26.03 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.562 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -135.43 106.75 6.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.968 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HG2' ' A' ' 39' ' ' LYS . 82.3 m95 -87.92 132.83 34.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 38' ' ' ARG . 18.3 m -119.67 157.24 21.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.43 80.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.0 m -59.27 -31.84 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 111.516 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.4 ttt180 -77.62 -28.68 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.314 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 70' ' ' TRP . 82.8 mttt -74.53 -39.7 62.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 109.85 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.607 HG23 HD21 ' A' ' 74' ' ' LEU . 75.8 mt -58.43 -38.58 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.115 173.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.25 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.018 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 38' ' ' ARG . 19.5 t -61.35 -56.54 17.15 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.923 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.487 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -60.37 -40.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -177.419 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -72.11 -37.69 69.46 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.303 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.72 -48.82 59.48 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.409 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.691 HG23 HG13 ' A' ' 47' ' ' ILE . 24.4 m -68.7 -56.46 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 O-C-N 122.721 -0.282 . . . . 0.0 111.662 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.691 HG13 HG23 ' A' ' 46' ' ' VAL . 81.2 mt -70.02 -44.36 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.33 0.394 . . . . 0.0 111.912 -170.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -85.27 -29.96 24.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.028 0.442 . . . . 0.0 111.115 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -60.75 0.81 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.328 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.14 -76.25 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -165.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.15 171.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.2 0.524 . . . . 0.0 112.349 -166.232 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -69.38 165.0 21.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.732 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.93 -33.59 73.4 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.893 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.67 -45.54 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.83 -9.65 58.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.855 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -89.36 -36.39 15.54 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 30.0 mm-40 -65.42 -43.0 91.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.251 0.548 . . . . 0.0 110.01 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -92.18 -54.25 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.447 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.456 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 74.4 m-85 -105.69 16.51 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -171.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.14 -21.21 69.8 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.15 -173.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 45.44 -96.47 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.44 0.696 . . . . 0.0 111.34 -177.576 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.532 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 51.0 m -140.5 144.45 36.0 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.13 -48.34 44.81 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.458 0.474 . . . . 0.0 111.578 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.683 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.15 -44.82 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.44 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.668 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -66.14 -32.54 74.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.442 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -60.28 -40.21 89.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.859 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.498 ' CE2' ' HB3' ' A' ' 39' ' ' LYS . 38.1 m0 -63.95 -51.41 64.51 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-O 121.134 0.492 . . . . 0.0 110.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.08 -43.23 98.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.997 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.0 m -65.76 -30.41 71.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.55 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 109.921 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD21 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -79.49 -19.77 48.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.814 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . . . -75.04 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.509 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 74.86 -38.59 0.39 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.883 0.739 . . . . 0.0 110.204 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 75' ' ' ALA . 79.9 m-70 -129.56 122.48 29.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 171.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.92 55.86 3.89 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.028 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.53 -51.46 0.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.136 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.7 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.614 -174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . . . 70.05 -9.93 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.404 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.7 tp -76.28 -13.8 60.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.39 0.614 . . . . 0.0 110.32 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.96 -20.03 56.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.686 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.82 119.75 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.208 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 m -53.75 -38.23 64.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 111.924 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.34 55.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.601 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 87' ' ' LEU . 2.3 tm? -87.83 -39.9 14.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.38 -38.45 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.743 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 18.8 mmtp -71.52 -34.3 69.95 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 176.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.504 ' O ' HD13 ' A' ' 94' ' ' LEU . 35.7 t80 -66.82 -16.57 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 110.366 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -94.84 -49.44 5.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.2 -33.68 76.36 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.61 -30.84 71.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 90' ' ' TYR . 9.8 mp -82.44 61.22 5.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.65 0.738 . . . . 0.0 110.432 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.7 125.79 41.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.522 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -88.67 107.16 18.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -83.99 86.09 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.728 -167.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -74.3 135.94 42.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.17 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -130.47 -66.86 0.75 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.948 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -72.61 -28.35 62.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.269 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 C--O 1.249 1.037 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 177.279 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.4 mtt 68.49 -61.46 0.4 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.671 0.788 . . . . 0.0 111.281 -176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.83 154.73 20.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.55 -23.71 64.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.472 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -131.82 -75.64 0.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -159.25 -89.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.031 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.5 t 47.76 54.21 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.998 0.904 . . . . 0.0 109.847 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -92.06 -57.52 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.626 -174.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.29 -64.69 1.45 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.94 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.61 126.57 7.5 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.067 2.511 . . . . 0.0 112.165 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -83.4 85.05 7.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.524 0.678 . . . . 0.0 109.365 173.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -121.07 144.02 48.77 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.979 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.518 HG11 ' HA2' ' A' ' 49' ' ' GLY . 9.3 m -105.41 131.08 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.063 0.459 . . . . 0.0 111.022 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -92.53 111.36 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -84.34 156.59 62.7 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.71 -4.39 7.04 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.899 2.399 . . . . 0.0 112.494 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.03 -20.22 42.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.102 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.72 -21.62 41.61 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -80.6 134.35 35.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.417 -0.391 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 pt -95.85 133.95 35.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.228 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.411 ' HB2' HG23 ' A' ' 13' ' ' VAL . 86.4 mmm -106.4 135.32 48.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.978 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.33 162.88 26.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.861 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.32 -11.95 46.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.9 -9.89 35.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.314 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.48 -11.29 29.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.044 0.449 . . . . 0.0 111.058 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 50' ' ' LEU . 48.3 mt -68.69 139.95 91.6 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.941 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 25.9 Cg_exo -64.36 115.3 3.1 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 111.536 170.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 7.2 Cg_exo -73.74 64.37 4.84 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 123.157 2.571 . . . . 0.0 112.132 -178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.13 -54.05 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.757 0.823 . . . . 0.0 111.9 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.547 ' O ' HG22 ' A' ' 31' ' ' THR . 13.2 p30 -98.14 -42.6 7.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.575 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 0.6 OUTLIER 62.03 -2.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.184 0.994 . . . . 0.0 112.567 177.445 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 30' ' ' ASN . 25.0 mtp85 73.19 -34.47 0.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.463 1.105 . . . . 0.0 112.419 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -154.1 113.48 3.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -86.36 126.32 34.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.752 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 38' ' ' ARG . 31.2 m -122.12 172.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 170.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -57.11 -48.29 78.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.583 0.23 . . . . 0.0 111.463 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.1 p -65.48 -29.18 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.601 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.6 mmt180 -61.55 -44.05 97.75 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.24 -48.06 68.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.494 HG23 HD21 ' A' ' 74' ' ' LEU . 45.8 mm -62.33 -28.08 43.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.7 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.38 -29.35 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.184 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 38' ' ' ARG . 10.5 t -69.85 -52.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.485 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -56.29 -54.05 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -66.83 -31.05 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.006 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.39 -44.26 90.82 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.56 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.448 HG23 HG13 ' A' ' 47' ' ' ILE . 27.4 m -80.91 -47.76 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.448 HG13 HG23 ' A' ' 46' ' ' VAL . 83.0 mt -68.11 -37.31 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -173.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -93.53 -32.39 14.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.48 -55.89 0.88 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.935 -170.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 26' ' ' LEU . 90.9 mt -105.31 -76.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -164.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.498 HD13 ' HB3' ' A' ' 55' ' ' GLU . 1.7 pp -143.51 -175.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -165.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 p -83.56 177.9 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.241 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.496 ' HG ' ' HE2' ' A' ' 57' ' ' LYS . 57.3 tp -61.54 -29.74 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.609 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.28 -55.53 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.759 0.314 . . . . 0.0 111.408 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB3' HD13 ' A' ' 51' ' ' ILE . 25.5 tp10 -65.22 -42.28 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.129 0.49 . . . . 0.0 110.17 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.5 -27.47 67.62 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.947 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 41.7 mtmt -83.56 -33.06 25.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.654 -0.819 . . . . 0.0 111.37 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.39 -39.72 92.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.889 0.376 . . . . 0.0 110.804 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.7 m -96.9 -53.53 3.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.591 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.6 m-85 -106.1 16.68 24.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.36 -171.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.656 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -62.17 -23.99 64.73 Favored Glycine 0 C--O 1.227 -0.343 0 CA-C-O 118.483 -1.176 . . . . 0.0 115.93 -166.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 32.05 -95.63 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.389 0.676 . . . . 0.0 112.382 -176.085 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 m -127.33 131.6 50.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.59 -42.46 88.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.954 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 2.9 mp0 -53.3 -44.27 68.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.232 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.58 -51.32 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.443 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE1' HD13 ' A' ' 53' ' ' LEU . 21.3 t80 -57.85 -44.65 86.68 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.741 -177.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -65.41 -29.55 70.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.3 m -65.14 -37.03 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.612 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.485 ' HE3' HG13 ' A' ' 43' ' ' VAL . 32.7 m0 -64.5 -51.14 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.962 0.41 . . . . 0.0 109.923 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 87' ' ' LEU . 41.3 t -60.0 -39.3 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.3 m -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.71 -29.52 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.232 0.539 . . . . 0.0 110.517 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD21 HG23 ' A' ' 40' ' ' ILE . 92.5 mt -81.91 -6.56 59.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.772 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.41 -8.69 57.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.05 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.73 -58.67 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.477 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -154.56 131.28 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.427 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.24 24.4 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.741 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 179.93 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.894 0.378 . . . . 0.0 110.529 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -131.64 -57.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.703 -173.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 76.66 -18.57 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.658 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.36 -34.13 15.8 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.03 0.443 . . . . 0.0 110.527 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -83.61 9.65 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.45 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -68.29 117.42 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -54.27 -45.16 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.419 0.449 . . . . 0.0 112.122 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.88 66.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.869 0.366 . . . . 0.0 111.952 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.415 HD23 HG11 ' A' ' 71' ' ' VAL . 1.7 tm? -83.22 -47.17 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.72 -40.09 82.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.044 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.44 -46.91 84.13 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.317 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.603 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 79.8 t80 -56.14 -43.98 78.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.787 0.327 . . . . 0.0 110.527 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -73.33 -43.62 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 111.52 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.36 -32.57 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 111.009 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp -69.65 -31.9 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.6 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 78.0 mt -83.72 -10.55 58.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.093 0.473 . . . . 0.0 110.506 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -83.67 122.61 28.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.809 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -81.67 66.32 7.18 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 173.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 98' ' ' HIS . 1.6 t60 -68.34 -25.94 65.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.999 -168.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 97' ' ' HIS . 39.0 t-80 71.18 124.62 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.252 0.548 . . . . 0.0 111.168 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -85.17 158.25 20.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.67 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -147.91 174.88 11.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.461 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 C--O 1.246 0.884 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.541 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.146 0.498 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.1 mtt -109.76 -82.01 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.241 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 51.44 53.0 13.59 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.582 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -49.46 73.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.741 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -127.06 -75.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.118 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -159.95 162.72 34.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.769 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.5 t -82.12 70.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.743 0.782 . . . . 0.0 110.063 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -150.82 99.27 2.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.95 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.11 -45.27 1.14 Allowed Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.453 -172.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.15 78.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 123.067 2.512 . . . . 0.0 114.622 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 4.9 mmp_? -116.35 29.15 8.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 165.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.682 ' HB3' HG22 ' A' ' 22' ' ' THR . 4.0 p -99.65 174.14 6.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.71 -171.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.551 HG11 ' HA2' ' A' ' 49' ' ' GLY . 1.3 m -129.16 119.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.148 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.3 m -84.07 136.95 33.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.447 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.579 HD11 ' HE ' ' A' ' 44' ' ' ARG . 82.1 mt -94.96 153.12 39.94 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.126 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.13 -22.0 30.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.043 2.495 . . . . 0.0 112.347 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.95 -30.35 67.83 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -13.47 26.76 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.388 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -90.51 139.81 30.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.912 0.387 . . . . 0.0 110.672 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 pt -99.38 153.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.056 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.574 ' HG3' ' HB2' ' A' ' 25' ' ' ASP . 33.6 ttm -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.929 0.395 . . . . 0.0 111.09 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 12' ' ' SER . 67.0 p -103.4 -179.86 4.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.258 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -69.79 -18.78 63.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.805 173.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.26 -28.07 42.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.574 ' HB2' ' HG3' ' A' ' 21' ' ' MET . 22.2 m-20 -76.68 -18.86 58.31 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.301 0.572 . . . . 0.0 109.915 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' HA3' ' A' ' 45' ' ' GLY . 96.1 mt -84.5 137.77 38.86 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.344 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.769 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 66.4 Cg_exo -44.08 122.75 3.76 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 123.856 3.038 . . . . 0.0 111.992 171.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 32.1 Cg_exo -59.47 -53.75 3.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.958 2.438 . . . . 0.0 112.383 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.66 -53.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.046 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -82.39 -56.45 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.688 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.769 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.9 m 63.08 89.02 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.664 0.603 . . . . 0.0 110.408 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -84.37 21.64 1.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.926 -171.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.553 ' HG3' HG13 ' A' ' 35' ' ' VAL . 29.3 tpt180 -163.46 89.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.859 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -83.85 90.0 7.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.303 0.573 . . . . 0.0 110.911 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 33' ' ' ARG . 34.0 m -94.17 167.11 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.11 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -55.51 -45.03 77.13 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.478 0.486 . . . . 0.0 111.381 -176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -58.67 -41.64 86.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.256 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 42' ' ' VAL . 70.4 mtt-85 -73.2 -33.86 65.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.502 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 58.4 mtpt -58.57 -55.18 38.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.179 0.514 . . . . 0.0 110.032 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 57.5 mt -62.83 -37.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.312 177.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.13 79.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.356 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' ARG . 34.5 t -63.77 -54.3 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.223 -0.191 . . . . 0.0 110.844 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.95 -45.58 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.258 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -73.61 -28.35 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.485 177.494 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.63 ' N ' ' HD3' ' A' ' 44' ' ' ARG . . . -72.48 -39.56 56.34 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.382 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG23 HG13 ' A' ' 47' ' ' ILE . 33.4 m -83.53 -54.64 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.673 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.58 HG23 ' HB2' ' A' ' 90' ' ' TYR . 78.9 mt -64.77 -51.29 69.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 80.4 t80 -87.85 -19.67 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.138 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.551 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -102.26 -75.12 1.08 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 114.774 -172.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.18 -75.81 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -161.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -123.38 174.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.096 0.474 . . . . 0.0 112.205 -167.663 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -78.0 167.66 21.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.68 -32.37 73.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.667 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.22 85.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.372 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.542 ' OE1' ' HB ' ' A' ' 51' ' ' ILE . 28.7 mt-10 -69.77 -40.67 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.547 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.1 -9.04 58.36 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.556 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 27.7 ttpp -94.99 -39.32 10.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.129 0.49 . . . . 0.0 110.294 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.29 -19.54 58.18 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.384 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -100.57 -66.36 0.91 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.502 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 90.8 m-85 -101.64 15.7 28.09 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -176.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -71.99 -14.72 76.13 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.574 -170.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.525 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 54.85 -92.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.037 0.492 . . . . 0.0 109.954 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.525 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 2.1 m -127.42 142.18 51.49 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.02 -61.3 1.94 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 68' ' ' ASN . 7.6 mm-40 -70.22 -29.29 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.717 0.294 . . . . 0.0 111.215 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 28.7 tt0 -58.2 -47.11 84.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.527 175.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.04 -42.04 63.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 65' ' ' GLU . 92.6 m-20 -61.04 -26.49 67.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.073 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 t -63.99 -32.77 74.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -71.52 -43.24 66.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.95 -41.81 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.674 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 p -69.33 -24.7 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.628 0.251 . . . . 0.0 111.129 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.65 -33.33 64.44 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.17 -14.3 53.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.868 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HA ' HG11 ' A' ' 84' ' ' VAL . . . -78.92 -22.89 45.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.495 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 69.96 -66.98 0.25 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 124.162 0.913 . . . . 0.0 110.916 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.67 -20.22 20.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -176.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.5 -79.39 1.56 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.692 173.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 81' ' ' ALA . 85.0 tttt -69.08 -24.34 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.109 0.48 . . . . 0.0 111.095 -173.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.4 m-20 -78.52 32.62 0.19 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.392 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.522 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -60.72 -17.32 47.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.774 -175.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.95 -23.29 61.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.173 0.511 . . . . 0.0 110.538 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -107.44 -3.28 19.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.243 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.4 t -76.27 124.77 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.297 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 7.1 m -49.34 -57.42 6.9 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.63 0.581 . . . . 0.0 112.219 -175.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.31 74.82 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 2.1 tm? -84.79 -40.07 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -174.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -59.35 -37.02 76.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.143 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 85' ' ' THR . 71.2 mmtt -64.69 -47.14 79.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.58 ' HB2' HG23 ' A' ' 47' ' ' ILE . 71.1 t80 -61.08 -49.28 77.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.448 -177.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.187 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -64.83 -39.43 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.271 0.557 . . . . 0.0 109.738 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.89 -20.93 60.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.869 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.11 -25.36 52.1 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.016 0.436 . . . . 0.0 110.505 176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.51 -122.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 97' ' ' HIS . 35.7 p-80 -171.08 -65.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 170.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 96' ' ' HIS . 37.3 m80 -168.25 85.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -174.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -144.75 135.99 25.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.102 -177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.91 171.5 7.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -150.6 85.86 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.226 0.536 . . . . 0.0 110.12 174.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 85.9 t60 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.796 -178.695 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.754 0.312 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.2 ptp -94.94 12.54 27.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.878 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 66.74 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.313 -174.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.7 tp 179.11 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 5' ' ' ARG . 46.1 ttm180 -85.12 -21.42 29.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.918 -178.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 41.3 mtpt 70.67 131.86 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.564 -176.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.3 t -97.52 86.84 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.666 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -126.83 7.89 6.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.162 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 10' ' ' PRO . . . -154.61 -61.54 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.828 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 9' ' ' GLY . 2.2 Cg_endo -48.03 104.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.748 2.965 . . . . 0.0 114.026 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 22' ' ' THR . 2.7 mpp_? 62.2 7.61 2.3 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.322 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.453 ' HB3' HG22 ' A' ' 22' ' ' THR . 55.8 p -118.86 113.13 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.98 136.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.459 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.5 m -97.97 107.5 19.99 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD11 ' SD ' ' A' ' 21' ' ' MET . 76.9 mt -71.19 158.62 87.7 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.433 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.28 -3.22 9.54 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.8 2.333 . . . . 0.0 110.616 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.94 -41.29 74.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.096 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.17 -30.29 6.61 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 m -79.8 145.8 32.62 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.126 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 pt -100.39 148.19 7.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.148 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.507 ' SD ' HD11 ' A' ' 15' ' ' LEU . 83.3 mtp -127.81 121.26 29.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 12' ' ' SER . 71.8 p -103.98 -178.24 3.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.844 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 3.1 tmt_? -60.54 -24.85 65.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.637 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.64 -10.53 24.89 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.38 -33.02 60.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.662 0.268 . . . . 0.0 111.243 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 pp -86.3 158.07 55.48 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.631 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.448 ' CB ' ' HB ' ' A' ' 31' ' ' THR . 38.2 Cg_endo -83.22 107.06 1.43 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.894 2.396 . . . . 0.0 111.877 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.851 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 6.0 Cg_exo -78.48 63.25 8.41 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.483 2.789 . . . . 0.0 112.051 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.98 -54.52 0.66 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.728 0.811 . . . . 0.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -95.54 75.06 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.566 0.698 . . . . 0.0 109.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 27' ' ' PRO . 13.1 t -91.71 177.95 6.06 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.988 171.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.62 -47.25 19.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.838 0.351 . . . . 0.0 110.454 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 52.9 ttt180 -148.02 128.52 14.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.756 0.312 . . . . 0.0 110.671 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.97 71.87 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.629 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.3 m -77.75 163.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.061 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . . . -56.02 -40.29 73.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 0.0 111.218 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.3 m -58.71 -39.17 80.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.438 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 42' ' ' VAL . 90.1 mtt-85 -76.37 -34.11 58.91 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.889 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HD2' ' HA ' ' A' ' 36' ' ' ALA . 67.0 mttm -57.75 -50.29 73.73 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.368 0.604 . . . . 0.0 110.002 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.29 -36.31 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.659 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.43 80.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.291 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 38' ' ' ARG . 36.1 t -61.93 -55.73 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.425 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -63.07 -32.62 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.909 -177.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.24 -53.22 52.46 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.112 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.22 -41.73 94.63 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.506 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 HG13 ' A' ' 47' ' ' ILE . 27.9 m -71.68 -57.04 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 117.346 0.573 . . . . 0.0 111.218 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.597 HG13 HG23 ' A' ' 46' ' ' VAL . 67.9 mt -67.9 -56.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 111.612 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -77.93 -26.61 49.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.327 -174.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.21 -65.17 0.81 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.304 -0.95 . . . . 0.0 114.873 -170.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.68 -74.18 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -162.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -125.48 177.26 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.415 0.626 . . . . 0.0 112.627 -163.628 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 p -82.74 173.19 12.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.26 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.83 -26.57 68.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.38 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.71 80.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.244 0.545 . . . . 0.0 110.853 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.531 ' HB2' HG13 ' A' ' 51' ' ' ILE . 16.9 mm-40 -68.12 -45.97 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.28 -12.31 61.5 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.073 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.7 ttpp -88.81 -40.15 13.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.083 0.468 . . . . 0.0 109.803 176.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.6 -46.29 88.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.646 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -92.78 -51.04 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.851 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 52.0 m-85 -105.8 16.09 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.98 -30.45 77.05 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.962 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 44.52 -96.02 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.214 0.606 . . . . 0.0 111.32 -177.151 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 18.3 m -134.05 144.44 48.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -62.81 -34.09 76.58 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.76 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -60.79 -48.31 82.38 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.419 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -60.06 -51.9 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.739 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.25 -42.45 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.827 0.346 . . . . 0.0 110.828 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -64.2 -33.34 75.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.9 p -62.33 -34.58 76.91 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.305 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.425 ' HE3' HG13 ' A' ' 43' ' ' VAL . 28.5 m0 -67.77 -53.59 25.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 109.923 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.35 -44.39 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.507 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.1 p -69.1 -31.03 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.276 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.61 -27.5 62.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.24 -27.96 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.924 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -89.62 -25.59 21.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.003 -177.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 71.88 -11.42 0.76 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.202 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' A' ' 75' ' ' ALA . 62.0 m-70 -135.86 117.01 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.59 60.14 0.68 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.625 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.487 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 22.6 mtmt -127.04 -67.03 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.577 0.703 . . . . 0.0 110.052 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.7 m-20 -62.08 -29.27 70.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.58 -175.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.03 -31.51 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.131 0.972 . . . . 0.0 110.527 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 80' ' ' ASP . 95.4 mt -86.24 -11.92 51.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.849 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -101.39 10.14 40.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.151 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 60.0 t -86.56 113.7 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -43.56 -58.23 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -20.22 60.28 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -89.34 -42.11 11.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -174.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -60.15 -39.46 86.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -72.01 -36.39 69.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.652 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.468 ' O ' HD13 ' A' ' 94' ' ' LEU . 61.0 t80 -67.65 -13.81 62.41 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.441 0.639 . . . . 0.0 110.327 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 91' ' ' ARG . 14.6 mmm180 -97.38 -51.1 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 175.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.94 -32.27 71.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.94 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.21 -27.08 68.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.128 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.3 mp -88.87 13.4 12.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.908 -173.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -64.77 104.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -72.46 -27.4 62.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.492 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -89.47 73.56 7.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.359 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -80.56 -2.09 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.691 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -68.54 -40.19 80.8 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 173.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.44 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 2.0 t-160 49.6 -92.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 O-C-N 124.538 1.149 . . . . 0.0 111.937 173.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 8.9 p80 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 119.078 -0.487 . . . . 0.0 110.271 174.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -88.35 156.62 19.06 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -74.44 130.93 40.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.13 173.7 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.163 -176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -83.57 55.05 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.079 0.942 . . . . 0.0 110.994 -174.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -127.69 9.87 6.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.144 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.04 22.98 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.218 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -62.38 -30.68 71.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.697 0.76 . . . . 0.0 109.265 176.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.52 72.6 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.49 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.93 -19.18 24.73 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.339 2.693 . . . . 0.0 114.171 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' ' 11' ' ' ARG . 12.7 tpt180 -79.19 62.99 3.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.471 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 22.8 m -113.26 152.84 29.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -101.86 138.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.637 173.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -101.45 117.74 35.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD13 ' HD3' ' A' ' 44' ' ' ARG . 64.5 mt -80.31 144.96 58.86 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.829 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.21 -7.16 11.29 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.011 2.474 . . . . 0.0 112.682 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -20.34 50.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.227 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.61 53.68 1.3 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.646 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t -157.16 147.33 20.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 pt -111.67 143.04 22.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 0.0 111.046 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.4 ' HE1' ' HB1' ' A' ' 41' ' ' ALA . 80.4 mtp -135.3 143.6 46.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.97 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 24' ' ' ALA . 8.8 t -142.54 -177.31 5.22 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -62.57 -5.47 2.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' H ' HG23 ' A' ' 22' ' ' THR . . . -94.23 -13.22 26.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.989 0.423 . . . . 0.0 110.897 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -99.18 -0.03 42.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -82.96 139.44 42.86 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.202 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HG2' HG22 ' A' ' 42' ' ' VAL . 85.5 Cg_exo -51.28 116.24 2.56 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.057 2.505 . . . . 0.0 111.816 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 24.6 Cg_exo -65.92 73.49 0.33 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.419 2.746 . . . . 0.0 113.175 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.8 -72.34 0.07 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.836 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.685 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.84 HG22 ' H ' ' A' ' 32' ' ' ARG . 2.6 m 62.52 -166.71 0.22 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.84 ' H ' HG22 ' A' ' 31' ' ' THR . 64.7 mmt-85 -118.96 -62.03 1.57 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -123.55 130.87 53.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.929 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -92.23 83.58 5.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 38' ' ' ARG . 27.7 m -72.87 157.23 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.811 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.16 -46.02 68.71 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.3 0.375 . . . . 0.0 111.446 -175.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -61.73 -33.7 74.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.065 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 42' ' ' VAL . 20.0 ttm180 -79.06 -32.06 44.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.918 -177.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 22.0 mtpp -63.4 -50.35 70.2 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 43' ' ' VAL . 74.1 mt -61.6 -33.12 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.273 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . -64.5 -29.93 70.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.098 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 38' ' ' ARG . 12.5 t -69.33 -51.16 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -63.72 -36.92 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.444 178.542 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' HD3' HD13 ' A' ' 15' ' ' LEU . 72.7 mtt-85 -66.28 -47.46 73.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.608 175.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.22 94.18 Favored Glycine 0 C--O 1.229 -0.217 0 CA-C-N 115.615 -0.72 . . . . 0.0 113.634 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 47' ' ' ILE . 25.0 m -81.05 -61.28 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 117.39 0.595 . . . . 0.0 111.131 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.553 HG13 HG23 ' A' ' 46' ' ' VAL . 80.2 mt -60.82 -51.4 73.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -171.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -90.01 -20.25 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 110.469 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.84 -74.33 1.08 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.294 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -105.4 -76.43 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -163.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.579 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -129.62 174.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.24 0.543 . . . . 0.0 112.151 -166.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -79.64 167.38 20.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 53.2 tp -62.14 -27.37 68.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.271 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -57.93 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HB3' HG13 ' A' ' 51' ' ' ILE . 45.0 tt0 -61.04 -38.15 85.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -62.49 -40.03 95.36 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.138 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 96.4 mttt -57.86 -50.04 74.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 118.368 0.531 . . . . 0.0 111.008 177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -58.17 -42.71 86.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.287 -175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.4 m -101.33 -51.79 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.638 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.2 m-85 -105.9 17.35 23.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -171.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.479 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -57.16 -23.54 47.59 Favored Glycine 0 C--O 1.227 -0.322 0 N-CA-C 115.533 0.973 . . . . 0.0 115.533 -169.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 40.34 -92.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.648 0.779 . . . . 0.0 112.272 -175.112 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -147.36 147.06 29.92 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -58.47 -50.68 72.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.02 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 48.5 t80 -63.32 -39.77 95.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.69 -38.66 85.72 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.397 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -63.77 -32.14 73.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.545 0.212 . . . . 0.0 110.889 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.456 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 29.7 m0 -70.35 -49.43 49.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.97 -35.76 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.658 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -62.89 -34.91 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.181 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.105 0.478 . . . . 0.0 110.364 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.42 HD11 HG23 ' A' ' 40' ' ' ILE . 97.0 mt -75.43 -32.53 60.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.817 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.85 5.38 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 79' ' ' LYS . 32.4 tt0 53.35 54.47 10.13 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.775 0.672 . . . . 0.0 110.547 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 71.8 10.71 6.3 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.212 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 53.94 2.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 76' ' ' GLU . 14.4 ptmm? -64.47 -26.21 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 111.437 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -161.54 -41.43 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.537 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 65.4 12.73 8.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.605 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.5 mt -120.28 -28.34 5.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -97.27 -14.22 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.948 0.404 . . . . 0.0 110.278 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.77 117.39 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.345 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.3 m -48.12 -56.16 8.51 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -173.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.11 70.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -44.94 10.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -174.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -56.15 -42.28 76.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.044 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.62 -48.09 56.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.35 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.549 ' O ' HD13 ' A' ' 94' ' ' LEU . 32.2 t80 -65.77 -21.21 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 91' ' ' ARG . 41.5 ttt-85 -92.26 -45.06 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.877 0.37 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.47 -34.28 60.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.545 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.08 -24.81 68.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.993 0.425 . . . . 0.0 111.354 -176.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 90' ' ' TYR . 10.9 mp -78.46 -5.33 52.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.121 -178.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -103.84 34.74 2.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.064 0.459 . . . . 0.0 110.226 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -55.05 -27.91 48.21 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.685 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -115.21 73.24 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.231 0.539 . . . . 0.0 109.761 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -76.92 -65.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 t60 69.8 -53.58 0.61 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.89 0.876 . . . . 0.0 112.275 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.84 131.91 45.17 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.485 0.314 . . . . 0.0 110.214 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.848 179.88 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.663 0.268 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.0 ttt -89.49 122.96 33.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.791 0.329 . . . . 0.0 111.357 -173.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -123.63 -69.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.498 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.5 mt 66.19 2.51 2.36 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.37 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 5' ' ' ARG . 21.8 mtp180 61.3 26.94 16.69 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.623 0.369 . . . . 0.0 111.942 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -118.36 14.81 13.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.537 ' O ' ' HD2' ' A' ' 10' ' ' PRO . 32.3 t -91.37 115.23 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.777 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.23 94.27 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.164 0.507 . . . . 0.0 109.998 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.93 -60.06 0.19 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.627 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.537 ' HD2' ' O ' ' A' ' 7' ' ' VAL . 6.2 Cg_exo -73.11 71.56 3.54 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.964 2.443 . . . . 0.0 111.791 175.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -93.35 16.0 14.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.647 0.736 . . . . 0.0 109.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -134.41 146.26 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.174 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG11 ' HA2' ' A' ' 49' ' ' GLY . 24.0 m -111.72 151.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.791 0.329 . . . . 0.0 111.299 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -109.73 118.31 36.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.821 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD13 ' HD3' ' A' ' 44' ' ' ARG . 43.8 mt -81.96 151.95 67.91 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.042 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.61 -0.46 3.75 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.769 2.313 . . . . 0.0 111.566 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -76.27 -22.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.002 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.8 -7.73 61.14 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.518 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -103.3 151.91 22.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 pt -99.12 164.98 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.258 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -134.31 129.62 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.25 0.548 . . . . 0.0 109.969 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -136.79 175.01 10.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.108 -176.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' H ' HG22 ' A' ' 22' ' ' THR . 60.2 mtp180 -74.33 57.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 111.015 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 -38.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.375 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.73 13.37 20.38 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.932 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -90.82 114.55 61.79 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.843 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.543 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 69.1 Cg_exo -46.13 113.03 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.675 2.917 . . . . 0.0 112.73 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 4.8 Cg_exo -75.69 56.81 4.77 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.517 2.811 . . . . 0.0 112.797 -176.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 72.85 -58.89 0.58 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.721 0.809 . . . . 0.0 112.117 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.64 -65.81 0.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.458 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.543 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 3.8 m 60.51 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.769 0.668 . . . . 0.0 111.667 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 34.9 ptt85 -66.85 110.37 3.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.018 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HD3' HH11 ' A' ' 33' ' ' ARG . 28.8 ttt-85 68.67 91.06 0.09 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.437 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.45 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 41.3 m95 -70.47 92.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.607 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 m -83.36 165.63 2.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.01 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.332 0.395 . . . . 0.0 111.119 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 t -59.87 -36.29 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.787 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.806 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -72.33 -47.13 52.1 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 178.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.02 -51.18 70.74 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.313 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.13 -34.72 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.89 76.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 38' ' ' ARG . 24.1 t -65.11 -58.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.658 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.464 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -57.67 -42.06 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -177.439 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' HD3' HD13 ' A' ' 15' ' ' LEU . 99.6 mtt180 -68.99 -42.71 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.72 0.295 . . . . 0.0 110.7 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 49' ' ' GLY . . . -69.28 -35.59 77.16 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.648 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -85.02 -55.99 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 117.6 0.7 . . . . 0.0 111.4 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' N ' HG23 ' A' ' 46' ' ' VAL . 76.7 mt -62.72 -48.77 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 123.351 0.407 . . . . 0.0 111.88 -172.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -97.28 -9.19 28.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.314 0.578 . . . . 0.0 110.231 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.561 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.44 -75.74 1.15 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.456 -0.878 . . . . 0.0 114.34 -173.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.32 -75.54 0.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -165.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.73 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.82 -179.27 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.759 -166.356 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.1 p -77.5 168.55 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.606 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 45.3 tp -66.73 -35.83 81.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.795 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 58' ' ' GLN . . . -60.36 -40.25 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.662 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 21.0 tp10 -64.95 -46.16 82.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.32 0.581 . . . . 0.0 110.1 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.35 -2.5 25.48 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.216 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.873 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 55.9 mtpt -93.91 -36.71 12.07 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 54' ' ' ALA . 76.5 mt-30 -59.84 -41.46 91.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -100.27 -51.91 3.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.743 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m-85 -107.62 19.12 20.6 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.274 -0.393 . . . . 0.0 111.88 -169.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.873 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -35.86 -34.75 0.08 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 116.643 1.417 . . . . 0.0 116.643 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 2.9 mt 58.94 -149.76 0.45 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 117.336 0.568 . . . . 0.0 110.446 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 m -111.38 148.8 32.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.199 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.56 -51.52 62.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.511 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.86 -39.82 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.317 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.49 -53.99 49.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.531 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 58.5 t80 -64.38 -36.75 85.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.956 0.408 . . . . 0.0 110.129 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -59.21 -42.47 91.03 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.953 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.7 p -63.19 -37.74 88.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.261 -175.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.464 ' HE3' HG13 ' A' ' 43' ' ' VAL . 34.7 m0 -63.94 -54.89 27.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.118 0.485 . . . . 0.0 110.573 -176.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -66.24 -38.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.137 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.8 m -67.12 -31.69 72.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.628 0.251 . . . . 0.0 111.266 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.61 60.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 109.924 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 96.7 mt -77.04 -23.15 52.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.687 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.509 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 73.36 -43.37 0.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 110.569 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 80' ' ' ASP . 3.3 p-80 -130.03 118.47 21.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.51 -10.74 79.76 Favored Glycine 0 N--CA 1.454 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.56 -70.21 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.486 0.66 . . . . 0.0 110.727 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 83' ' ' LYS . 4.1 m-20 -85.09 60.17 6.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.531 -175.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -23.19 66.12 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.391 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp -87.8 -6.94 57.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.438 0.637 . . . . 0.0 110.197 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 34.6 ttmt -99.98 0.15 40.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 0.0 109.583 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.9 t -82.86 123.43 38.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.635 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 p -50.83 -45.8 59.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.07 84.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.979 0.418 . . . . 0.0 111.843 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 87' ' ' LEU . 3.3 tm? -87.35 -40.09 14.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -58.19 -37.14 74.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.569 175.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.21 -50.04 67.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.553 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' O ' HD13 ' A' ' 94' ' ' LEU . 43.8 t80 -61.15 -44.89 96.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -66.19 -39.0 89.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.217 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -80.68 -33.91 35.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.043 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.03 -27.73 69.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.336 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 90' ' ' TYR . 8.0 mp -64.68 -39.75 94.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.22 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 70.39 -45.42 0.59 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.874 0.87 . . . . 0.0 112.56 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -47.92 112.64 0.59 Allowed 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.974 0.51 . . . . 0.0 111.938 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -59.24 127.44 32.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.998 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -68.67 87.36 0.33 Allowed 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.753 0.787 . . . . 0.0 112.12 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -171.44 37.98 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 175.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.72 -41.09 61.26 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.559 -172.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.489 -179.527 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.578 0.227 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.1 ttt -173.54 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -110.4 114.35 27.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.151 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.746 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.4 pt? -79.11 2.97 18.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.346 0.593 . . . . 0.0 110.178 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -83.42 -28.76 28.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.468 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -159.74 113.59 2.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.901 0.382 . . . . 0.0 111.524 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 10' ' ' PRO . 21.2 t -125.14 152.05 31.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.66 -43.89 87.99 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -175.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.64 60.2 0.42 Allowed Glycine 0 CA--C 1.522 0.485 0 C-N-CA 119.752 -1.214 . . . . 0.0 113.918 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 7' ' ' VAL . 36.4 Cg_endo -68.52 125.89 13.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.303 2.002 . . . . 0.0 112.26 173.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -83.65 85.87 7.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.799 0.809 . . . . 0.0 109.084 169.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 t -114.7 131.28 56.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.262 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.612 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.9 m -97.69 125.41 50.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -86.9 104.6 16.39 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.65 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 17' ' ' ASP . 66.9 mt -66.05 153.8 91.06 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.739 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.26 41.94 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.254 2.636 . . . . 0.0 111.119 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 15' ' ' LEU . 24.1 t70 -135.45 -43.58 0.69 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.865 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.84 -26.03 4.08 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -80.73 150.46 29.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.404 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -116.46 140.42 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.493 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mmm -124.9 150.63 46.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -157.9 179.33 9.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HA ' HD12 ' A' ' 26' ' ' LEU . 14.5 ttm-85 -65.61 -25.58 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 110.511 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -18.19 63.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.58 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.65 -12.47 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.179 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD21 ' HA3' ' A' ' 45' ' ' GLY . 85.4 mt -69.88 122.53 86.26 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 51.7 Cg_exo -57.35 118.55 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.72 2.28 . . . . 0.0 111.67 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.13 51.02 2.72 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.034 2.49 . . . . 0.0 112.206 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.12 -56.1 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.761 0.824 . . . . 0.0 111.028 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -104.58 53.89 0.73 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.321 0.582 . . . . 0.0 110.57 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 10.4 t -68.96 165.06 20.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.718 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -92.92 124.43 36.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.485 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.7 mmp_? 61.89 87.11 0.1 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.291 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -69.01 120.85 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.068 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.452 HG23 ' H ' ' A' ' 38' ' ' ARG . 22.4 m -121.22 160.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.84 -46.06 71.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.886 0.374 . . . . 0.0 111.672 -176.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.8 m -68.46 -25.1 64.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.66 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.1 ttm-85 -75.39 -38.04 60.19 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 21.3 mtpp -59.65 -48.03 83.28 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.704 0.764 . . . . 0.0 109.598 175.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.55 HG23 HD21 ' A' ' 74' ' ' LEU . 84.1 mt -61.7 -37.44 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.886 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.48 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -61.91 -58.46 7.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.462 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -61.83 -31.82 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.415 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.21 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.003 0.43 . . . . 0.0 110.296 173.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.562 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -71.83 -27.0 71.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.853 -174.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.645 HG23 HG13 ' A' ' 47' ' ' ILE . 16.2 m -82.1 -63.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 117.775 0.787 . . . . 0.0 110.888 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.645 HG13 HG23 ' A' ' 46' ' ' VAL . 71.8 mt -60.96 -50.4 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.647 0.592 . . . . 0.0 112.025 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -97.09 -8.21 30.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.052 0.453 . . . . 0.0 110.229 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.612 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.98 -75.83 1.17 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.964 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.82 -76.31 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 pp -118.15 -176.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -165.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 170.09 10.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.979 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.797 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.64 76.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -64.79 -48.41 74.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.814 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.36 68.3 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.177 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 16.3 ttpp -85.43 -42.88 14.1 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.623 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.82 -29.54 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.64 0.257 . . . . 0.0 111.102 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -100.06 -56.69 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.484 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 36.7 m-85 -105.54 16.6 25.2 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -173.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.434 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -60.97 -26.88 66.18 Favored Glycine 0 C--O 1.228 -0.269 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -170.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.518 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 49.68 -90.64 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.453 0.701 . . . . 0.0 110.966 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 13.5 t -137.42 144.22 42.27 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 174.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.65 -42.45 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.168 0.509 . . . . 0.0 109.795 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.18 -46.48 86.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.858 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -56.96 -54.89 41.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.65 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -63.17 -41.94 99.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.162 -174.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -70.49 -20.56 62.84 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.918 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -71.87 -30.14 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.39 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.448 ' HE3' HG13 ' A' ' 43' ' ' VAL . 24.9 m0 -69.09 -45.67 69.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.1 t -66.2 -39.56 84.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.664 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -61.19 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.36 -28.92 67.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.377 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD21 HG23 ' A' ' 40' ' ' ILE . 96.1 mt -87.37 -7.21 58.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.418 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB2' HG13 ' A' ' 84' ' ' VAL . . . -99.87 -17.15 17.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.041 174.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 72.83 -49.75 0.7 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.23 0.956 . . . . 0.0 111.22 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -127.24 111.0 13.45 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.125 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.91 -103.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp 70.83 -60.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.503 0.721 . . . . 0.0 111.886 172.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -85.24 -37.28 20.24 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.3 -10.29 1.38 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.16 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -100.16 -37.58 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 110.194 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -86.93 20.52 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.15 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' A' ' 75' ' ' ALA . 92.7 t -60.94 120.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.7 m -48.04 -53.13 17.33 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.07 -19.52 59.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -91.14 -42.67 10.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -175.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.07 -37.97 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.214 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -73.09 -36.47 66.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.705 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.566 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 46.1 t80 -61.03 -45.0 96.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 87' ' ' LEU . 9.6 mmm180 -58.68 -53.48 57.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.032 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.58 -32.08 73.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 78.1 mt -66.37 -65.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.207 178.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER 59.87 -173.44 0.11 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -171.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.43 ' H ' ' CD ' ' A' ' 95' ' ' GLU . 57.6 m80 62.09 96.23 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.719 0.295 . . . . 0.0 110.999 177.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -62.66 -43.75 98.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.45 ' HB3' ' H ' ' A' ' 99' ' ' HIS . 4.2 t60 54.31 -97.52 0.07 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.912 0.757 . . . . 0.0 111.01 173.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.45 ' H ' ' HB3' ' A' ' 98' ' ' HIS . 25.6 m170 -140.15 18.58 2.43 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -104.28 138.8 40.2 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.19 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.5 t60 . . . . . 0 C--O 1.24 0.589 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.363 172.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.9 ttt . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.009 0.433 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.5 ptm -89.89 18.0 6.15 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.065 -0.397 . . . . 0.0 111.153 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -67.88 131.09 44.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -74.5 123.58 25.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.42 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 67.59 -108.85 0.11 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.292 177.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -152.37 171.95 17.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.5 28.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.559 0.695 . . . . 0.0 109.86 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -93.12 97.13 10.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.402 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.37 53.35 4.15 Favored Glycine 0 CA--C 1.523 0.589 0 CA-C-N 115.533 -0.758 . . . . 0.0 113.738 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -80.96 79.35 3.33 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.999 1.799 . . . . 0.0 111.194 174.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -68.42 -18.41 64.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.838 -173.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -71.81 109.93 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -72.76 129.75 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.406 0.622 . . . . 0.0 111.398 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -98.42 108.26 20.92 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.124 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.95 154.62 88.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.05 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -62.04 -5.9 7.07 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.821 2.347 . . . . 0.0 112.023 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -44.74 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.65 175.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.9 -24.03 5.2 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.055 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 t -80.16 137.15 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.6 pp -98.76 144.04 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 177.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.6 mtp -124.54 133.4 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -111.22 -179.34 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.519 174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.723 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -81.87 8.26 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.765 0.793 . . . . 0.0 109.446 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.76 -27.64 17.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.786 171.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.25 -36.67 46.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.849 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.12 124.48 86.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.644 -179.634 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.592 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 82.4 Cg_exo -50.15 132.85 34.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.14 2.56 . . . . 0.0 113.198 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 76.4 Cg_exo -52.3 -53.95 6.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.092 2.528 . . . . 0.0 112.469 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -48.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.821 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.597 ' O ' HG22 ' A' ' 31' ' ' THR . 28.7 p-10 -128.89 0.68 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.835 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 30' ' ' ASN . 2.7 t 60.21 -53.96 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.2 1.4 . . . . 0.0 112.554 -174.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER 175.88 -61.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.76 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 33' ' ' ARG . 42.7 ttm180 -139.75 2.77 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.468 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.551 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 76.5 m95 64.83 95.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.208 -177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m -88.31 145.85 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 170.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.99 -48.03 67.77 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.324 0.39 . . . . 0.0 111.752 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -57.68 -33.28 68.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.861 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.1 ttt180 -85.23 -24.35 27.87 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.924 -176.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' ' 34' ' ' TRP . 63.0 mttm -60.45 -49.1 78.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.599 0.714 . . . . 0.0 109.249 170.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.52 -34.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.666 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.28 -32.37 73.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' ARG . 23.6 t -64.86 -54.85 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.571 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG12 ' CZ ' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -59.01 -38.3 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.392 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -69.78 -42.63 73.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.34 97.43 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.241 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.634 HG23 HG13 ' A' ' 47' ' ' ILE . 17.5 m -82.92 -62.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.332 0.566 . . . . 0.0 111.66 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.634 HG13 HG23 ' A' ' 46' ' ' VAL . 69.5 mt -62.93 -35.67 72.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 111.99 -170.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 40.7 t80 -97.45 -26.73 14.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.329 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -70.93 0.93 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.508 -172.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 mp -105.56 -75.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -166.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 55' ' ' GLU . 29.2 pt -121.52 164.17 18.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -166.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 p -80.82 -178.82 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.513 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.636 ' O ' ' HB2' ' A' ' 57' ' ' LYS . 51.8 tp -75.41 -7.94 55.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.013 0.435 . . . . 0.0 110.304 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 -60.82 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.873 0.368 . . . . 0.0 110.181 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.481 ' HB3' HD12 ' A' ' 51' ' ' ILE . 9.4 tp10 -66.96 -38.36 85.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.275 0.56 . . . . 0.0 109.973 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -68.5 -13.07 62.07 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.512 178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 3.4 ttmp? -87.97 -43.3 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.247 0.546 . . . . 0.0 109.643 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.69 -38.51 90.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.94 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 -50.62 3.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.06 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.685 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.2 m-85 -108.24 18.06 21.51 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -171.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -44.7 -38.75 5.71 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -168.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 51.44 -99.84 0.08 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.573 0.702 . . . . 0.0 109.469 -173.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 57.9 m -156.31 146.03 20.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 169.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.21 -36.31 65.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 117.867 0.303 . . . . 0.0 110.785 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.47 -42.67 95.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.772 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.3 -51.48 69.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.054 0.454 . . . . 0.0 109.853 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CZ ' HG12 ' A' ' 43' ' ' VAL . 53.0 t80 -64.16 -46.53 83.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.318 -174.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -70.42 -22.87 62.68 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.209 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.2 m -65.91 -30.47 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.711 0.291 . . . . 0.0 110.495 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.454 ' HE3' HG13 ' A' ' 43' ' ' VAL . 25.3 m0 -68.75 -45.51 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.256 0.551 . . . . 0.0 109.572 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG11 HD23 ' A' ' 87' ' ' LEU . 45.4 t -68.21 -42.05 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.554 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 m -63.81 -29.37 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.579 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.32 -32.23 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.317 0.58 . . . . 0.0 109.891 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.88 -29.39 55.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.548 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -74.23 -28.83 61.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.559 177.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 7.7 tp10 69.75 -68.25 0.2 Allowed 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.207 0.942 . . . . 0.0 110.653 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -104.52 129.39 52.57 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.45 69.91 2.92 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -141.65 -80.6 0.24 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.85 0.357 . . . . 0.0 110.3 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.41 65.54 7.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.645 0.736 . . . . 0.0 110.719 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -13.65 62.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.481 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 77.4 mt -79.25 -6.13 55.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.579 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -102.0 -10.76 19.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.273 0.559 . . . . 0.0 110.085 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.3 114.26 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.832 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -49.3 -49.12 45.21 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.699 0.624 . . . . 0.0 112.547 -175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.49 -30.73 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.6 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.558 HD23 HG11 ' A' ' 71' ' ' VAL . 1.5 tm? -83.02 -45.03 14.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' A' ' 82' ' ' LEU . 87.3 tttt -62.59 -34.15 76.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.522 177.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' A' ' 48' ' ' TYR . 57.0 tttm -58.1 -58.56 7.88 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.675 176.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.412 ' O ' HD13 ' A' ' 94' ' ' LEU . 8.9 t80 -65.09 -40.8 95.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.754 0.658 . . . . 0.0 111.211 -175.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -67.3 -40.08 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.953 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 6.2 tp-100 -82.6 -15.0 53.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.483 0.658 . . . . 0.0 110.242 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 tp -78.25 -10.42 59.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.245 0.545 . . . . 0.0 110.487 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 90' ' ' TYR . 8.5 mp -96.18 44.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.169 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.593 ' HG3' ' O ' ' A' ' 92' ' ' GLN . 47.1 mt-10 -67.95 -16.83 64.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.018 0.437 . . . . 0.0 111.113 178.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -81.6 50.9 1.57 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.401 0.62 . . . . 0.0 110.772 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -152.5 141.15 20.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.089 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -88.76 153.17 21.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 110.736 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -77.74 168.35 20.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.775 -177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -81.62 122.41 27.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.437 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.03 178.739 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.642 0.258 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -119.69 -11.96 9.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.547 0.213 . . . . 0.0 111.468 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.7 t80 65.41 -172.01 0.19 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.35 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.7 mt -90.03 11.45 20.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.336 -0.228 . . . . 0.0 111.155 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 62.3 19.25 10.89 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.084 0.468 . . . . 0.0 112.055 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -126.57 81.39 2.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.019 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.71 112.96 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.53 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -86.12 -5.47 59.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.905 0.384 . . . . 0.0 111.384 -174.318 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.99 -61.07 5.16 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.876 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -65.89 104.91 0.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.6 2.2 . . . . 0.0 111.994 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -99.92 18.75 17.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.515 0.674 . . . . 0.0 109.233 174.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 21' ' ' MET . 1.1 m -69.86 104.25 2.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.699 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.58 123.99 42.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.496 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.2 m -76.05 107.96 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.611 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 44' ' ' ARG . 43.1 mt -76.86 141.29 68.01 Favored Pre-proline 0 N--CA 1.445 -0.713 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 34.5 Cg_exo -61.12 -9.0 11.18 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.9 2.4 . . . . 0.0 112.549 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.24 -17.37 59.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.138 0.494 . . . . 0.0 109.884 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.47 46.9 2.07 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.296 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 m -152.17 145.54 24.77 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -107.02 117.37 52.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.193 0.521 . . . . 0.0 110.332 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.503 ' O ' ' HA ' ' A' ' 12' ' ' SER . 94.6 mmm -93.92 134.84 35.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 p -115.55 173.71 6.39 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.239 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 23' ' ' ARG . 43.0 ttp85 -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.155 0.503 . . . . 0.0 110.207 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.18 -31.5 30.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.54 -30.7 64.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.728 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD21 ' HA3' ' A' ' 45' ' ' GLY . 93.9 mt -56.62 128.48 75.09 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.309 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.673 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.5 Cg_exo -48.7 110.66 0.36 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.2 2.6 . . . . 0.0 111.538 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.28 -47.99 24.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.06 2.507 . . . . 0.0 112.947 -173.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -178.7 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.5 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.618 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.673 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.6 m 68.82 137.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.952 0.782 . . . . 0.0 111.036 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -87.78 -32.28 19.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.39 . . . . 0.0 110.992 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -138.77 112.26 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.585 0.707 . . . . 0.0 111.08 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.554 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 86.9 m95 -95.11 88.59 5.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.354 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 38' ' ' ARG . 33.7 m -94.23 171.52 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.893 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.19 95.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.834 0.349 . . . . 0.0 111.056 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 m -66.73 -22.91 66.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.952 0.405 . . . . 0.0 110.775 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.91 -42.13 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.052 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' A' ' 34' ' ' TRP . 1.5 mptm? -52.64 -58.86 5.46 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.885 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.783 HD12 HD21 ' A' ' 74' ' ' LEU . 30.1 mm -58.77 -37.57 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.119 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.84 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 38' ' ' ARG . 40.2 t -70.67 -53.26 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -60.85 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 -176.76 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.561 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.8 mtt-85 -69.67 -33.17 72.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.665 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.521 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -65.91 -42.36 94.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.648 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.2 m -85.98 -50.54 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 122.505 -0.409 . . . . 0.0 111.471 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.551 HD12 HG12 ' A' ' 43' ' ' VAL . 25.1 mt -72.54 -48.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -173.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 66.3 t80 -88.4 -16.04 33.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.317 0.579 . . . . 0.0 109.837 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.27 -74.65 1.06 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.446 -0.797 . . . . 0.0 114.434 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.545 ' HB3' HG23 ' A' ' 51' ' ' ILE . 9.2 mp -105.95 -75.37 0.63 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -164.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -127.77 -177.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -162.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.791 HG23 ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -76.85 159.11 30.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.468 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.08 -28.27 68.96 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.136 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.23 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.302 0.572 . . . . 0.0 110.533 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.791 ' HG2' HG23 ' A' ' 52' ' ' THR . 26.2 mm-40 -74.88 -36.14 62.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.598 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -73.85 -6.42 47.0 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.123 177.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 20.7 mtpp -87.51 -45.27 10.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.98 0.419 . . . . 0.0 109.987 173.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.8 -37.61 82.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.302 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 m -100.22 -55.64 2.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.512 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.5 m-85 -106.58 16.2 24.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.154 -171.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -56.26 -37.44 73.14 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-O 119.312 -0.715 . . . . 0.0 114.694 -167.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 55.89 -95.25 0.05 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -173.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.451 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.1 p -142.34 146.01 34.53 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 166.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -48.28 -52.23 22.24 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 69' ' ' SER . 7.2 tp10 -64.98 -34.04 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.428 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.05 -53.72 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.7 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.06 -44.52 92.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.0 110.063 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 3.9 t -68.04 -30.17 69.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -71.29 -45.9 62.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.81 176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 43' ' ' VAL . 11.3 t -60.54 -45.77 96.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 p -68.15 -26.8 65.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.185 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.31 60.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.229 0.537 . . . . 0.0 109.837 176.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.783 HD21 HD12 ' A' ' 40' ' ' ILE . 70.7 mt -77.54 -21.19 52.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.613 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -44.16 74.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.129 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 69.46 -50.86 0.61 Allowed 'General case' 0 N--CA 1.469 0.513 0 O-C-N 124.253 0.971 . . . . 0.0 111.357 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -84.25 -48.8 9.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.205 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.96 -54.85 3.48 Favored Glycine 0 CA--C 1.52 0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.812 174.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.98 -38.77 83.52 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.609 0.364 . . . . 0.0 111.709 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 82' ' ' LEU . 2.3 m-20 -59.27 -64.93 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.45 -27.28 0.19 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.343 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 80' ' ' ASP . 3.9 pp -104.37 -7.77 19.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -101.03 -9.3 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.61 112.76 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.26 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.4 m -53.24 -36.87 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.79 84.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.053 0.454 . . . . 0.0 111.366 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -89.53 -38.55 13.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.13 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.01 -37.18 81.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.164 176.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -72.82 -42.99 63.24 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.598 ' HE1' ' HA ' ' A' ' 52' ' ' THR . 79.5 t80 -57.8 -54.03 51.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.636 0.585 . . . . 0.0 110.895 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -66.51 -31.97 73.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.034 0.445 . . . . 0.0 110.555 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -68.49 -47.18 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 174.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.52 -33.93 75.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.216 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.1 mp -74.82 -18.86 60.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.977 0.418 . . . . 0.0 111.22 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.657 ' HG2' ' HB3' ' A' ' 100' ' ' HIS . 8.1 tp10 -110.08 168.48 9.4 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.059 -175.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -129.38 150.96 50.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.79 0.329 . . . . 0.0 110.518 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' A' ' 98' ' ' HIS . 0.4 OUTLIER -54.46 143.35 24.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.441 -177.661 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 97' ' ' HIS . 82.9 m-70 75.83 1.9 3.6 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.91 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -103.45 -33.27 9.13 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.657 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 55.7 t-80 -153.81 148.17 26.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.319 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.265 -0.874 . . . . 0.0 109.484 177.57 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.716 0.293 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.08 151.52 28.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 168.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.1 t80 68.21 27.23 6.8 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.961 0.886 . . . . 0.0 109.541 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.6 tp -102.7 93.14 4.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.04 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 56.85 28.86 15.15 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.133 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -96.43 8.61 43.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.473 0.654 . . . . 0.0 109.873 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 t -131.69 142.98 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 58.31 79.67 0.2 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.816 0.817 . . . . 0.0 110.116 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.92 55.12 2.32 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.735 -174.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.3 163.16 39.73 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.094 1.862 . . . . 0.0 111.827 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -90.12 -30.54 17.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.031 -175.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -93.72 139.8 30.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.861 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.86 145.46 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 0.0 110.715 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -101.95 118.7 37.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.966 0.412 . . . . 0.0 110.469 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' HD3' ' A' ' 44' ' ' ARG . 60.4 mt -74.3 152.86 88.11 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.744 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.54 -16.79 31.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.503 2.135 . . . . 0.0 111.75 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.12 -17.69 61.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.743 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.26 3.54 55.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.249 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.1 t -100.11 142.49 31.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 pt -100.17 129.21 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.381 . . . . 0.0 110.179 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.1 mmm -115.53 138.79 50.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.308 0.575 . . . . 0.0 111.49 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.458 ' H ' ' HB2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -133.47 169.74 16.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.063 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -64.56 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 118.136 0.425 . . . . 0.0 111.165 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.2 -3.66 52.98 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.909 0.385 . . . . 0.0 111.41 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' A' ' 22' ' ' THR . 28.2 m-20 -98.46 -1.6 40.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.285 0.564 . . . . 0.0 109.606 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD21 ' HA3' ' A' ' 45' ' ' GLY . 99.1 mt -92.73 139.4 23.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.718 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.542 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.2 Cg_exo -46.67 111.81 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 123.102 2.535 . . . . 0.0 112.299 173.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 3.0 Cg_exo -75.49 62.53 6.27 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 123.302 2.668 . . . . 0.0 113.028 -173.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.16 -59.32 0.48 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.819 0.848 . . . . 0.0 112.07 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -74.31 -67.34 0.63 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.175 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 7.8 m 71.18 138.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.763 0.664 . . . . 0.0 111.135 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -96.68 90.55 5.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.918 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 74.27 106.44 0.07 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -80.68 90.48 5.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.191 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 38' ' ' ARG . 31.8 m -81.71 168.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.71 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.658 0.265 . . . . 0.0 111.219 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -60.82 -31.51 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.251 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.93 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -71.52 -46.29 60.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.797 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 86.8 mttt -64.67 -51.02 64.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.13 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.401 HG22 ' HD2' ' A' ' 44' ' ' ARG . 61.2 mt -59.26 -33.06 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.355 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 38' ' ' ARG . 7.7 t -67.35 -53.62 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.05 -43.34 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 -178.598 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HD3' HD13 ' A' ' 15' ' ' LEU . 28.5 mtt85 -62.72 -43.71 98.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 176.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.613 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -68.98 -48.63 46.7 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.698 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.1 m -73.35 -49.11 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.402 0.601 . . . . 0.0 111.497 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.603 HG23 ' CD1' ' A' ' 90' ' ' TYR . 40.8 mt -62.25 -46.01 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 123.532 0.52 . . . . 0.0 111.967 -174.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.79 -32.76 13.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.44 -55.93 0.84 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.243 0.857 . . . . 0.0 115.243 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.87 ' HG ' HG13 ' A' ' 51' ' ' ILE . 34.2 tp -94.39 -77.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -159.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.87 HG13 ' HG ' ' A' ' 50' ' ' LEU . 1.8 pp -151.3 179.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.351 0.596 . . . . 0.0 112.508 -169.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.9 p -75.01 165.86 24.59 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.047 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.15 -19.88 65.97 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.804 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.27 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.529 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HB3' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -69.39 -50.52 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.621 -179.712 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.32 75.06 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.953 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 34.5 ttpt -68.03 -43.97 77.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.406 0.548 . . . . 0.0 111.099 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.71 -35.22 79.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.768 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.0 m -100.09 -55.99 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.862 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 19.9 m-85 -105.58 16.49 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -173.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.31 -17.77 64.4 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-O 119.417 -0.657 . . . . 0.0 114.458 -169.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 53.23 -95.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.16 -179.351 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.491 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 23.9 t -151.41 151.44 31.7 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 172.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.722 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 10.4 t70 -48.49 -49.7 34.74 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.469 0.481 . . . . 0.0 110.303 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 6.7 mt-10 -50.63 -44.52 57.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.012 -177.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.7 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.73 -36.03 73.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.542 . . . . 0.0 110.737 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.722 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.7 t-20 -56.59 -44.65 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.568 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -65.08 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.528 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.514 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 29.8 m0 -62.35 -51.41 67.72 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 109.894 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 t -69.28 -35.95 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.751 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -62.74 -41.53 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.566 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.16 -27.23 61.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.5 mt -83.16 -26.75 30.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.874 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -77.1 -42.79 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 5.0 mm-40 71.87 -45.96 0.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.98 0.8 . . . . 0.0 112.275 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.573 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 74.7 m-70 -94.03 -77.82 0.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.739 0.304 . . . . 0.0 110.923 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.54 -27.69 19.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.527 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -68.31 -29.21 67.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 77' ' ' HIS . 29.5 p-10 -97.78 36.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.536 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.38 -4.18 10.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.107 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.0 tp -86.61 -15.27 40.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.581 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 35.8 ttpt -105.7 -91.37 0.4 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.646 176.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 31.8 t 43.11 100.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.836 0.855 . . . . 0.0 112.155 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.5 p -48.58 -44.28 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.52 -26.28 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.2 tm? -90.24 -42.77 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -175.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 86.2 tttt -60.24 -40.52 90.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' ' 89' ' ' LYS . 20.7 ttmm -66.71 -44.04 82.69 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.355 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.603 ' CD1' HG23 ' A' ' 47' ' ' ILE . 21.9 t80 -56.61 -50.41 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.78 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -62.88 -49.09 76.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -60.04 -40.59 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.503 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 60.9 tp -69.46 -33.91 73.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 90' ' ' TYR . 6.0 mp -72.87 -46.09 54.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.422 177.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.95 -49.4 75.79 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 93' ' ' LEU . 3.0 t-160 51.03 33.36 8.89 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.063 0.852 . . . . 0.0 112.526 165.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -65.86 -58.39 5.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 111.167 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -147.69 167.78 23.76 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -122.28 145.92 47.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.91 0.386 . . . . 0.0 111.313 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -160.59 173.78 14.99 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.499 175.466 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.7 mtt -136.01 146.99 47.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.106 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.637 ' HB3' ' HA ' ' A' ' 6' ' ' LYS . 96.3 m-85 -92.67 96.73 10.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.051 178.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 2.9 pp -81.81 -16.44 50.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.079 0.466 . . . . 0.0 111.175 -177.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 5' ' ' ARG . 5.8 tpm_? -105.53 -27.58 11.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 3' ' ' PHE . 4.7 ttmp? 71.95 -78.56 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.963 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t 58.72 83.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.522 0.677 . . . . 0.0 111.667 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.13 27.41 2.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 172.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.19 72.26 0.38 Allowed Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.78 -172.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.41 115.61 2.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.906 2.404 . . . . 0.0 112.679 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -92.37 -1.39 57.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.81 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -107.24 141.74 38.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.362 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -87.57 140.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.279 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -97.09 111.98 23.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.013 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' HE ' ' A' ' 44' ' ' ARG . 80.3 mt -80.24 159.14 70.96 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 29.6 Cg_endo -63.19 -8.16 13.68 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.934 2.423 . . . . 0.0 113.158 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.27 -16.65 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.179 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.2 -8.65 59.13 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 p -87.49 143.66 27.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.412 HG12 HH22 ' A' ' 5' ' ' ARG . 2.7 pp -106.03 140.82 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.412 ' HB3' ' HE2' ' A' ' 21' ' ' MET . 86.4 mtp -135.6 137.32 41.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.083 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -97.88 163.56 12.74 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -73.34 54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.888 0.851 . . . . 0.0 110.332 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.94 -32.81 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.744 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.39 -10.09 59.38 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.487 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.07 145.12 97.53 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.055 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.594 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 24.6 Cg_exo -62.31 115.21 2.72 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.488 2.125 . . . . 0.0 111.475 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 6.6 Cg_exo -73.69 73.55 3.5 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.082 2.521 . . . . 0.0 112.276 -176.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.38 -40.15 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.837 0.855 . . . . 0.0 112.086 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -152.45 97.79 2.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.328 0.585 . . . . 0.0 109.885 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 12.6 t -76.95 14.37 0.87 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.062 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 72.36 -56.51 0.65 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.95 0.9 . . . . 0.0 111.303 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 33' ' ' ARG . 63.4 mtt85 -120.8 105.49 10.78 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.428 0.632 . . . . 0.0 110.482 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.431 ' CH2' ' HB2' ' A' ' 27' ' ' PRO . 93.5 m95 -90.12 91.73 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.042 -175.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 38' ' ' ARG . 28.2 m -80.37 157.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.057 175.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -53.75 -47.16 70.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.3 0.375 . . . . 0.0 111.573 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -58.86 -37.09 75.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HG2' ' HG3' ' A' ' 27' ' ' PRO . 17.0 ttt180 -81.5 -25.82 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.1 mttt -64.66 -51.05 64.58 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.58 0.705 . . . . 0.0 109.289 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.603 HG22 ' HD2' ' A' ' 44' ' ' ARG . 57.4 mt -56.67 -37.74 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.831 175.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . . . -59.71 -33.84 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.78 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 38' ' ' ARG . 6.7 t -67.72 -50.77 57.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.986 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.464 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -64.47 -46.84 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.164 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.603 ' HD2' HG22 ' A' ' 40' ' ' ILE . 2.2 ptm180 -69.21 -32.36 71.57 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.546 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.67 -47.08 63.72 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.31 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.624 HG23 HG13 ' A' ' 47' ' ' ILE . 27.0 m -75.95 -52.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.692 -177.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.624 HG13 HG23 ' A' ' 46' ' ' VAL . 73.9 mt -71.22 -41.4 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -170.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 54.2 t80 -79.98 -37.16 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.055 0.455 . . . . 0.0 110.692 -177.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.32 -61.9 0.73 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.293 -0.956 . . . . 0.0 115.204 -171.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.67 -75.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -159.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' CG ' ' A' ' 55' ' ' GLU . 17.3 pt -124.38 -176.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -161.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.8 p -97.21 178.89 5.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.205 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 41.9 tp -73.21 -20.44 60.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.139 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -59.95 -51.56 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' CG ' HD12 ' A' ' 51' ' ' ILE . 10.9 tp10 -70.53 -39.12 74.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.931 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -62.3 -19.61 63.47 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.958 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 67.7 mttm -81.99 -45.08 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.146 0.43 . . . . 0.0 110.063 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 65.7 mm-40 -60.22 -40.63 90.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.249 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.2 m -100.96 -49.77 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.013 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 56.4 m-85 -105.79 18.22 22.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.338 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.81 8.76 1.63 Allowed Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.167 -1.352 . . . . 0.0 115.707 -171.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -6.44 -80.32 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.84 1.256 . . . . 0.0 113.763 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 12.6 t -129.98 131.57 45.96 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 168.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.16 -44.29 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.352 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -75.2 -31.06 60.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.785 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 22.6 tp10 -57.06 -50.75 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.459 ' CE1' HD13 ' A' ' 53' ' ' LEU . 25.6 t80 -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.097 0.475 . . . . 0.0 109.772 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.07 -40.52 96.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.882 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 p -68.1 -22.21 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.484 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.509 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.6 m0 -66.93 -53.53 30.95 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.598 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.25 -38.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.33 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.079 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 -24.68 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.665 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 84.7 mt -71.75 -27.16 62.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.393 0.616 . . . . 0.0 109.654 177.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.56 -63.8 1.22 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.5 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 58.76 -81.41 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.296 1.038 . . . . 0.0 112.121 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -130.8 15.96 5.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.012 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.08 73.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.137 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.9 tttp 72.66 -34.52 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 111.741 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.73 69.1 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.919 0.866 . . . . 0.0 109.448 174.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -95.73 10.64 36.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.903 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.5 mt -95.13 -32.15 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.746 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -112.43 20.64 16.49 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 111.078 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 40.3 t -66.72 122.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.4 p -53.85 -65.02 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.556 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.58 -25.17 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.995 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -82.57 -50.76 8.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -66.28 -31.47 72.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.434 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -66.95 -45.41 77.88 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.829 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.46 ' O ' HD13 ' A' ' 94' ' ' LEU . 34.8 t80 -64.25 -45.82 86.47 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.42 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -62.9 -31.7 72.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -79.73 -38.47 33.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.651 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.59 -20.78 65.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.63 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 90' ' ' TYR . 10.4 mp -89.03 15.1 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.701 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.36 -23.26 63.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.697 0.284 . . . . 0.0 111.171 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -82.67 37.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -170.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -96.98 -68.76 0.78 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 165.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 29.2 t60 49.02 74.64 0.17 Allowed 'General case' 0 N--CA 1.463 0.196 0 O-C-N 124.196 0.935 . . . . 0.0 112.402 164.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -119.28 -40.98 2.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 60.7 -87.47 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.244 0.618 . . . . 0.0 111.574 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.619 -175.699 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 52.3 ttm -73.4 -38.77 65.49 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 111.261 -177.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -139.04 143.15 38.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.349 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp -157.72 -62.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 43.2 mtt180 -80.33 77.01 7.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.263 -172.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 57.3 tttm 173.14 -32.44 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.4 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -136.03 -171.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.962 -172.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 67.54 -72.86 0.09 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.376 1.048 . . . . 0.0 110.945 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.27 72.8 0.19 Allowed Glycine 0 N--CA 1.438 -1.197 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.21 137.41 56.32 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.29 1.993 . . . . 0.0 110.996 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -63.95 -53.06 56.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.842 -172.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -114.85 155.09 27.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -172.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 m -95.28 133.28 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.181 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -92.77 100.17 12.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.181 0.515 . . . . 0.0 109.696 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.571 HD13 ' HD3' ' A' ' 44' ' ' ARG . 87.5 mt -79.49 158.16 74.06 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.269 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.65 -3.88 3.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.321 2.68 . . . . 0.0 113.572 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -89.03 -2.3 58.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.038 0.447 . . . . 0.0 110.595 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.23 27.49 48.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.062 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -119.41 134.5 55.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.557 0.218 . . . . 0.0 110.585 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.9 103.12 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.479 0.657 . . . . 0.0 109.913 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.1 mtp -104.01 131.31 51.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.589 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 23' ' ' ARG . 2.0 m -105.5 175.09 5.61 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' H ' HG22 ' A' ' 22' ' ' THR . 38.2 ttm-85 -58.5 -17.56 22.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.615 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.32 -3.22 55.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.711 0.291 . . . . 0.0 111.654 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.87 -0.05 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.512 . . . . 0.0 110.541 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -98.52 131.52 25.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.293 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.612 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.5 Cg_exo -61.74 109.44 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.24 1.96 . . . . 0.0 110.704 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.5 -37.84 96.54 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.82 2.346 . . . . 0.0 112.617 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -174.19 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -135.75 89.22 2.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.693 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 15.3 t -69.97 161.91 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -38.69 91.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.33 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -145.01 110.78 5.39 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -74.99 87.68 2.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 35.6 m -94.09 172.08 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.385 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.71 73.65 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.349 0.405 . . . . 0.0 111.404 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 m -62.52 -36.0 81.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.885 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -66.51 -47.41 73.04 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.537 177.171 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 27.1 mtpp -55.87 -56.79 16.39 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.433 0.458 . . . . 0.0 111.0 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.15 -39.06 77.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.948 0.404 . . . . 0.0 111.299 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.02 73.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.382 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 38' ' ' ARG . 32.2 t -72.9 -42.08 60.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.556 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.509 HG12 HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 109.991 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HD3' HD13 ' A' ' 15' ' ' LEU . 4.5 ppt_? -79.49 -5.71 55.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.611 -176.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.02 -45.99 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.691 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 42' ' ' VAL . 28.8 m -84.46 -43.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.659 177.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.509 HD12 HG12 ' A' ' 43' ' ' VAL . 21.4 mt -64.98 -44.43 96.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.211 -175.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -97.41 -9.42 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.989 0.423 . . . . 0.0 110.24 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.54 -75.04 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.974 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -105.55 -75.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -166.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pp -122.05 -178.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -167.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 p -80.29 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.733 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.9 tp -69.36 -13.67 62.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.88 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -42.15 96.28 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -60.91 -18.72 58.26 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.949 176.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.701 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 18.1 ttmt -96.55 -35.19 11.18 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.859 -0.737 . . . . 0.0 110.303 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.73 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.669 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 m -98.92 -54.28 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.507 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.569 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 32.6 m-85 -104.51 16.12 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.781 -0.191 . . . . 0.0 110.596 -170.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.701 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -52.29 -38.19 49.08 Favored Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 -170.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 57.44 -82.48 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.592 0.71 . . . . 0.0 109.769 -173.368 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 35.2 t -158.38 146.75 18.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 172.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.742 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 14.3 t70 -56.46 -42.15 77.72 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.11 -40.19 95.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.77 -62.47 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.561 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -62.07 -35.59 79.1 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 110.29 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.742 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.6 t-20 -60.46 -41.11 93.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.42 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -66.64 -27.39 67.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.952 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CZ3' ' HB ' ' A' ' 42' ' ' VAL . 37.0 m0 -64.3 -47.15 80.58 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 109.55 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.44 HG12 HG11 ' A' ' 84' ' ' VAL . 21.8 t -67.4 -37.16 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 t -63.27 -31.47 72.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.661 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.93 -29.67 58.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 110.604 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.21 -5.26 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.348 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 84' ' ' VAL . . . -63.25 -51.75 64.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 176.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 63.47 18.69 11.23 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.263 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 30.2 m170 -120.17 -67.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.949 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 80' ' ' ASP . . . 90.38 123.25 2.59 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.195 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 79' ' ' LYS . 71.4 mmtt 68.15 -38.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.514 0.726 . . . . 0.0 111.566 -172.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.58 ' HB3' ' HB3' ' A' ' 77' ' ' HIS . 15.0 t70 -84.22 77.83 9.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.73 16.11 7.25 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.457 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.74 -36.13 11.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.622 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 49.9 mttm -104.21 25.22 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.763 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 75' ' ' ALA . 86.5 t -58.02 128.33 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.62 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 35.2 p -48.52 -71.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.12 -23.25 66.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -49.97 10.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -69.5 -29.2 66.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 85' ' ' THR . 65.8 mttm -62.73 -52.73 62.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 174.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.541 ' O ' HD13 ' A' ' 94' ' ' LEU . 3.3 t80 -64.05 -42.56 97.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.538 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -70.3 -40.38 74.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.262 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -74.74 -33.03 62.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.86 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.99 -22.82 67.06 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 90' ' ' TYR . 10.3 mp -82.5 -9.47 59.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -102.4 134.63 45.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.324 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -88.69 39.87 0.94 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.645 0.736 . . . . 0.0 109.386 173.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -79.63 145.61 32.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.201 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -65.06 115.55 5.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.934 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -66.2 135.05 53.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.942 175.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -82.23 71.97 9.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 . . . . . 0 C--O 1.246 0.903 0 O-C-N 123.746 0.654 . . . . 0.0 110.021 -175.367 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.576 0.227 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 52.2 ttm -117.69 141.89 47.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.2 29.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.025 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.4 mt 71.79 -50.67 0.69 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.784 0.834 . . . . 0.0 111.291 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 28.7 ttp180 -136.49 170.13 16.56 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.634 ' HB2' ' HG2' ' A' ' 8' ' ' GLU . 7.7 ptpp? -65.3 134.13 52.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.375 0.607 . . . . 0.0 111.335 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 5.3 t -114.69 23.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.224 1.011 . . . . 0.0 108.552 177.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.634 ' HG2' ' HB2' ' A' ' 6' ' ' LYS . 12.6 pt-20 -80.68 112.14 17.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.432 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 57.66 18.65 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 115.582 -0.736 . . . . 0.0 114.168 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 7' ' ' VAL . 47.2 Cg_endo -68.75 120.47 7.39 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.294 1.996 . . . . 0.0 111.567 173.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.27 4.77 53.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.346 0.593 . . . . 0.0 110.956 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -114.0 118.33 33.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.603 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG11 ' HA2' ' A' ' 49' ' ' GLY . 26.3 m -107.43 147.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.14 0.495 . . . . 0.0 111.475 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -101.33 112.95 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.089 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.48 155.89 73.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.338 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.75 -6.02 4.13 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.379 2.719 . . . . 0.0 114.417 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.82 -12.51 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.064 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.13 10.25 61.26 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -98.98 147.17 25.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.391 -0.404 . . . . 0.0 110.525 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 pt -101.97 129.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.939 0.399 . . . . 0.0 110.277 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.3 mmm -126.68 162.09 26.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.255 0.55 . . . . 0.0 110.864 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -163.91 178.4 7.8 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.002 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 26' ' ' LEU . 15.0 tpt180 -67.36 -18.96 65.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 111.144 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.4 65.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.489 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -90.8 -14.43 31.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.476 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 23' ' ' ARG . 1.1 tm? -59.69 121.69 59.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 173.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.581 ' HG2' HG22 ' A' ' 42' ' ' VAL . 4.8 Cg_exo -33.38 109.48 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 124.276 3.317 . . . . 0.0 114.661 -173.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 13.5 Cg_exo -73.29 58.35 3.62 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 124.226 3.284 . . . . 0.0 113.018 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.39 -71.65 0.11 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.017 0.527 . . . . 0.0 111.514 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.42 -49.32 50.06 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.4 m 63.61 99.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 173.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 32' ' ' ARG . 3.8 ttm180 -69.04 110.61 4.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 30.7 mmt180 71.14 101.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.954 0.784 . . . . 0.0 112.485 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.86 102.09 12.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.619 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' ARG . 30.9 m -98.8 163.41 2.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.139 176.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.94 73.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -60.04 -37.21 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.0 mtt180 -77.13 -28.13 54.16 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.618 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.22 -54.61 37.59 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.78 0.8 . . . . 0.0 108.914 170.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG23 HD21 ' A' ' 74' ' ' LEU . 49.0 mt -63.01 -35.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.669 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -65.78 -33.78 76.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.928 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 38' ' ' ARG . 30.2 t -70.32 -55.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -58.68 -43.42 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.791 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' NE ' HG22 ' A' ' 40' ' ' ILE . 72.3 mtm180 -73.58 -35.03 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.802 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.34 -31.64 77.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.203 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 42' ' ' VAL . 26.9 m -91.84 -54.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.268 -0.548 . . . . 0.0 111.583 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.442 HG13 HG23 ' A' ' 46' ' ' VAL . 82.3 mt -63.4 -45.06 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 111.795 -174.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -96.25 -16.16 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.344 0.592 . . . . 0.0 110.167 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.577 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.49 -73.57 1.02 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.468 -0.872 . . . . 0.0 114.59 -172.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.7 mt -101.63 -76.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -163.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.37 174.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.994 0.426 . . . . 0.0 111.97 -168.715 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -70.82 165.27 23.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.056 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 51.2 tp -64.54 -19.87 65.88 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.79 72.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.598 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB3' HG13 ' A' ' 51' ' ' ILE . 34.8 tt0 -81.85 -33.98 30.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.091 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -65.63 -20.83 66.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 177.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -82.12 -45.36 15.29 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -60.85 -44.23 97.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.1 m -95.24 -52.57 4.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.447 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 28.0 m-85 -105.36 15.79 26.67 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -171.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -71.61 -16.95 76.16 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.343 -174.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 34.6 -100.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.862 0.865 . . . . 0.0 112.326 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 42.9 t -110.86 130.11 55.67 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.1 -43.26 77.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 110.058 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -64.45 -34.07 77.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.723 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 31.4 tt0 -66.7 -51.73 52.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.684 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.51 -38.45 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.066 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.0 -42.85 94.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -63.9 -25.53 68.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.445 -175.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.455 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 50.3 m0 -70.57 -45.59 65.12 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 109.968 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.51 -41.22 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.819 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.3 p -69.21 -27.43 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.751 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.73 61.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.409 0.624 . . . . 0.0 109.955 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD21 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -78.73 -39.98 34.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.121 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.81 69.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.787 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 71.19 -52.92 0.68 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.657 0.783 . . . . 0.0 110.543 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -86.76 93.96 9.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.844 172.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.67 62.88 2.74 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.173 -0.537 . . . . 0.0 111.961 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -163.84 -54.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 109.841 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.07 -73.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.973 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . 60.4 19.02 8.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.686 176.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -88.0 -46.03 9.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.087 0.47 . . . . 0.0 110.201 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.77 5.94 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.886 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.0 t -72.78 111.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.411 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -47.86 -51.88 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.865 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.7 tm? -88.6 -46.88 8.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -171.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -61.93 -38.33 88.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.245 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.55 -43.14 70.13 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.515 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 23.9 t80 -60.13 -46.66 88.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.005 0.431 . . . . 0.0 110.155 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.0 -45.56 73.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.494 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.4 -42.5 98.82 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.172 0.511 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.02 -46.11 85.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.829 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 75.3 mt -73.99 -15.89 61.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.617 -177.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.426 ' HA ' ' OE1' ' A' ' 95' ' ' GLU . 5.0 tp10 -74.42 -13.55 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.869 0.366 . . . . 0.0 110.306 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 69.54 0.17 2.84 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.548 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -82.38 81.59 8.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -106.61 -46.12 4.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.566 -166.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.9 m80 64.85 105.97 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.711 0.632 . . . . 0.0 111.835 -175.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -96.52 -11.54 25.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.281 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.1 t60 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.324 178.052 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 111.087 0.032 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 68.8 mtm 72.17 -59.99 0.54 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.434 0.694 . . . . 0.0 111.749 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -128.14 138.86 52.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.675 0.274 . . . . 0.0 110.386 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -139.61 -54.09 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.695 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -77.71 82.35 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 110.318 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -171.52 -33.0 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 23.9 t -81.06 165.61 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.011 169.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 44.6 mt-10 79.54 -32.67 0.14 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.432 0.693 . . . . 0.0 110.44 -175.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' N ' ' HD3' ' A' ' 10' ' ' PRO . . . -146.1 65.82 0.43 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.438 176.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 9' ' ' GLY . 9.7 Cg_exo -72.11 39.28 0.39 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.942 2.428 . . . . 0.0 112.604 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -88.95 -0.72 57.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.238 0.542 . . . . 0.0 109.979 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -69.2 107.21 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.675 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HA2' ' A' ' 49' ' ' GLY . 18.1 m -79.62 136.74 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.761 -170.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -96.23 104.94 16.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.557 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.883 HD12 ' HB2' ' A' ' 19' ' ' SER . 57.1 mt -61.73 133.69 93.67 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.507 177.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 36.5 Cg_exo -59.36 -10.48 10.96 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.05 2.5 . . . . 0.0 112.07 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.73 -22.52 40.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.42 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.3 55.4 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.324 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.883 ' HB2' HD12 ' A' ' 15' ' ' LEU . 11.9 m -152.47 149.94 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.978 0.418 . . . . 0.0 110.188 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.06 119.64 59.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.927 -176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.0 mmm -120.26 140.6 50.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.995 0.426 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 24' ' ' ALA . 10.3 t -164.19 -178.37 5.5 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.478 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.0 -17.58 64.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.705 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' H ' HG23 ' A' ' 22' ' ' THR . . . -88.04 -14.14 39.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 111.415 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -106.24 -21.03 13.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.143 0.496 . . . . 0.0 110.46 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD21 ' HA3' ' A' ' 45' ' ' GLY . 84.9 mt -74.96 128.28 85.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.913 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.558 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 86.1 Cg_exo -52.53 117.71 3.94 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 111.187 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 27' ' ' PRO . 9.5 Cg_endo -52.26 -40.53 69.63 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.636 2.891 . . . . 0.0 113.457 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.47 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.728 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.475 ' HA ' ' HZ2' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -153.95 93.92 1.7 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.932 175.216 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.743 HG21 ' HD3' ' A' ' 38' ' ' ARG . 15.4 t -69.83 172.55 7.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.562 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -89.48 108.18 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 69.97 94.12 0.08 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.791 -175.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.475 ' HZ2' ' HA ' ' A' ' 30' ' ' ASN . 82.2 m95 -73.49 80.27 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.646 176.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 38' ' ' ARG . 27.1 m -74.58 159.96 5.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.7 -44.8 81.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 0.0 111.569 -174.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -65.69 -32.0 73.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.743 ' HD3' HG21 ' A' ' 31' ' ' THR . 8.2 ttt180 -73.87 -32.8 63.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.129 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 93.8 mttt -66.74 -46.29 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 109.717 174.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 74' ' ' LEU . 85.7 mt -58.58 -36.97 62.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.641 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.13 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.69 -53.71 38.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.529 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -58.45 -43.39 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.742 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.547 ' HE ' HD13 ' A' ' 15' ' ' LEU . 17.6 mtp180 -62.81 -43.64 98.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.792 0.33 . . . . 0.0 110.459 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.586 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -69.63 -37.96 77.71 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.8 -0.637 . . . . 0.0 113.411 -177.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' VAL . 26.8 m -78.45 -58.03 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 117.524 0.662 . . . . 0.0 111.174 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.487 ' N ' HG23 ' A' ' 46' ' ' VAL . 71.9 mt -59.62 -52.29 62.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 O-C-N 123.602 0.564 . . . . 0.0 112.151 -171.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CD2' HD23 ' A' ' 15' ' ' LEU . 79.2 t80 -92.9 -18.6 22.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.314 0.578 . . . . 0.0 110.725 -175.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -92.93 -74.2 1.26 Allowed Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.969 -172.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.99 -75.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -165.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.753 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -114.72 167.88 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.152 0.501 . . . . 0.0 111.793 -167.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.0 p -76.78 169.84 17.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.262 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.12 -23.69 66.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.471 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.17 13.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.006 0.431 . . . . 0.0 110.732 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.58 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -61.37 -40.95 96.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.505 0.669 . . . . 0.0 109.65 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -11.66 60.5 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.154 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 29.3 ttpp -93.56 -44.76 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.83 0.348 . . . . 0.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.49 -27.07 62.97 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.797 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.7 m -100.26 -56.17 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.764 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 24.7 m-85 -105.63 16.39 25.45 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 122.3 -0.25 . . . . 0.0 111.435 -174.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -60.93 -24.59 62.91 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.475 -171.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 54.6 -91.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.21 0.529 . . . . 0.0 110.362 -177.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 50.1 m -148.31 146.09 28.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -54.77 -42.5 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.493 0.187 . . . . 0.0 111.476 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.3 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.01 -57.94 10.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.576 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.33 -40.33 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.694 -175.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.72 -34.64 74.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -62.49 -34.82 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.647 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.507 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 18.5 m0 -65.75 -51.07 62.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.54 . . . . 0.0 109.734 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.467 HG12 HG11 ' A' ' 84' ' ' VAL . 23.2 t -65.94 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.455 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -67.06 -29.88 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.32 56.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 109.905 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 40' ' ' ILE . 97.4 mt -80.56 -2.97 48.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.843 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 84' ' ' VAL . . . -76.45 -27.26 56.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.524 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 68.32 -60.54 0.42 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 124.173 0.92 . . . . 0.0 109.794 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -105.69 88.73 2.9 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 171.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.94 44.03 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.977 -172.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -118.03 -37.27 3.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.788 0.327 . . . . 0.0 110.825 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.52 -32.24 22.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.848 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.81 -18.95 0.37 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.435 0.694 . . . . 0.0 112.293 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.0 mm? -82.81 3.79 28.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.067 0.461 . . . . 0.0 110.874 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -125.13 8.84 7.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.042 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 75' ' ' ALA . 52.6 t -61.49 112.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 22.9 m -55.73 -52.32 64.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.393 0.433 . . . . 0.0 111.761 -174.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.71 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 111.791 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -90.11 -40.44 12.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -173.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -61.74 -33.89 74.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.259 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 85' ' ' THR . 30.5 mtpp -70.64 -48.68 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.316 176.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.622 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 5.6 t80 -59.85 -51.28 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.628 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 91' ' ' ARG . 27.5 ttt85 -57.34 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.51 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -64.96 -35.86 82.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.7 tp -78.86 -11.82 60.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.096 0.474 . . . . 0.0 111.174 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 80.1 mt -83.8 -3.45 57.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.474 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.24 102.64 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 111.047 178.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -175.66 -144.79 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.237 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -52.56 151.06 4.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 0.0 110.491 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -63.52 127.32 30.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.34 -171.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -104.83 9.99 34.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.339 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -179.9 -53.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.748 -1.12 . . . . 0.0 108.665 170.674 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.439 ' HB3' HG22 ' A' ' 22' ' ' THR . 3.4 p -130.21 145.24 51.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 0.0 111.492 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 20' ' ' ILE . 11.3 m -102.47 152.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.07 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' SER . 22.4 m -103.79 127.19 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.849 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 44' ' ' ARG . 45.6 mt -73.77 160.14 82.71 Favored Pre-proline 0 C--N 1.318 -0.798 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.56 -28.42 21.86 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.661 2.241 . . . . 0.0 112.848 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -154.58 21.78 0.47 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.866 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.71 34.61 3.26 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.746 -1.216 . . . . 0.0 114.499 -169.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 14' ' ' THR . 13.5 t 59.06 -162.17 0.25 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.855 0.36 . . . . 0.0 111.032 173.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 31.8 pt -102.09 140.78 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.325 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.0 ttp -138.45 148.7 44.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 12' ' ' SER . 48.0 p -98.25 178.36 5.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.253 0.549 . . . . 0.0 111.662 -175.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 50' ' ' LEU . 87.7 mtm180 -81.26 2.74 26.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.14 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.55 -23.34 15.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.852 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.36 8.22 39.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.446 0.641 . . . . 0.0 111.112 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.77 123.27 89.19 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.727 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HG2' HG22 ' A' ' 42' ' ' VAL . 31.6 Cg_exo -60.3 111.5 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.628 2.219 . . . . 0.0 110.971 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 2.9 Cg_exo -75.65 49.55 2.46 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.301 2.667 . . . . 0.0 112.675 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.54 -45.82 0.63 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.848 0.859 . . . . 0.0 111.769 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -71.25 -74.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 32' ' ' ARG . 2.2 m 60.48 -170.76 0.14 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.728 ' H ' HG22 ' A' ' 31' ' ' THR . 47.7 mtt180 -118.21 -73.9 0.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.777 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -112.2 121.92 46.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.504 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 96.1 m95 -85.21 93.82 8.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG23 ' H ' ' A' ' 38' ' ' ARG . 35.4 m -90.77 167.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.97 8.37 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.11 0.256 . . . . 0.0 111.493 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.5 t -57.11 -34.28 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.883 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 6.4 tpm_? -68.93 -43.42 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.301 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 34' ' ' TRP . 95.1 mttt -68.64 -50.46 51.11 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.913 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 HD21 ' A' ' 74' ' ' LEU . 1.7 mp -58.73 -34.34 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.625 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.84 73.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.489 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' HG2' ' A' ' 27' ' ' PRO . 11.9 t -67.08 -59.19 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -59.27 -42.83 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.074 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HB3' HD22 ' A' ' 15' ' ' LEU . 53.7 mtt180 -70.35 -37.11 74.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.908 0.385 . . . . 0.0 110.562 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.42 -50.64 30.94 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.825 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG23 HG13 ' A' ' 47' ' ' ILE . 30.0 m -69.85 -49.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.733 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 HG23 ' A' ' 46' ' ' VAL . 67.5 mt -73.12 -44.6 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.873 -172.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -91.12 -26.73 18.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.012 0.434 . . . . 0.0 110.887 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.06 -53.27 1.03 Allowed Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.413 -0.899 . . . . 0.0 114.266 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 23' ' ' ARG . 3.7 mm? -105.68 -76.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -165.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -131.66 -172.84 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.339 0.59 . . . . 0.0 112.23 -164.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.9 p -86.1 171.14 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.384 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 34.3 tp -72.4 -12.08 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.926 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -51.93 57.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.169 0.509 . . . . 0.0 109.84 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.49 ' HB2' HG13 ' A' ' 51' ' ' ILE . 74.8 mm-40 -73.84 -39.56 63.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.544 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -66.32 -18.53 65.41 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.739 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 5.8 ttpm? -89.84 -38.46 13.74 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.468 176.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.67 -36.36 70.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.653 0.263 . . . . 0.0 111.111 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -92.16 -57.46 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 56' ' ' ALA . 38.5 m-85 -105.21 15.27 27.72 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -171.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -73.62 -19.84 79.75 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.876 -171.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.559 HD21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 36.75 -102.76 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.599 0.759 . . . . 0.0 112.045 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 20.3 m -113.14 133.77 54.87 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 171.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.84 -40.04 91.34 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.259 -0.177 . . . . 0.0 111.324 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.5 -33.63 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 60.8 tt0 -61.81 -48.43 80.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.926 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -60.3 -41.45 93.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.035 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.99 -38.94 90.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.105 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 m -63.54 -28.9 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.559 ' HH2' HD21 ' A' ' 62' ' ' LEU . 45.4 m0 -69.93 -47.37 62.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.255 0.55 . . . . 0.0 109.623 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.24 -38.58 82.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.3 t -61.88 -35.73 79.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.43 -30.54 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.239 0.543 . . . . 0.0 110.243 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD21 HG13 ' A' ' 40' ' ' ILE . 93.4 mt -84.08 -11.59 56.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.473 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.53 -56.74 4.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 67.6 -61.22 0.37 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.886 0.741 . . . . 0.0 110.883 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -101.47 112.38 24.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.01 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.94 54.03 0.68 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.984 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -88.28 -48.73 7.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.396 0.617 . . . . 0.0 109.482 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.3 m-20 -87.15 -35.03 18.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.91 -12.99 0.36 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.886 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' A' ' 91' ' ' ARG . 48.5 tp -104.68 -9.64 18.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.297 0.57 . . . . 0.0 109.791 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -86.93 7.17 28.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.04 123.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 m -44.54 -54.44 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.37 68.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.026 0.441 . . . . 0.0 111.782 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.51 -39.64 13.19 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.47 -39.0 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.924 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 28.6 mmtp -72.31 -41.89 66.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -69.42 -14.98 63.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 111.084 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.503 ' HG2' HD11 ' A' ' 82' ' ' LEU . 18.3 tpt85 -99.99 -44.8 5.9 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.158 -0.338 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -70.6 -36.25 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.359 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.3 tp . . . . . 0 N--CA 1.465 0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.719 -175.48 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.3 mmt180 . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 p -92.69 108.91 20.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.136 172.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG11 ' HA3' ' A' ' 49' ' ' GLY . 25.6 m -92.85 148.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.458 . . . . 0.0 111.563 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 m -98.52 115.75 29.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.032 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 19' ' ' SER . 88.2 mt -82.86 160.9 59.87 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.436 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 57.4 Cg_endo -69.9 -3.56 12.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.661 2.24 . . . . 0.0 112.841 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.1 1.39 28.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.29 -10.2 56.46 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.062 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.554 ' HB2' HD12 ' A' ' 15' ' ' LEU . 17.1 m -75.38 129.18 36.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.371 . . . . 0.0 111.608 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 pt -101.55 105.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 172.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.7 ttp -114.58 128.68 56.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.396 -174.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 2.4 m -92.89 168.23 11.3 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.774 ' HA ' HD23 ' A' ' 26' ' ' LEU . 68.1 ttp85 -64.43 -6.1 6.6 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.272 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -20.51 65.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.986 0.422 . . . . 0.0 110.448 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' A' ' 21' ' ' MET . 5.5 m-20 -99.16 -5.05 30.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.808 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 23' ' ' ARG . 4.6 mm? -85.08 114.62 57.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.15 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.594 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 16.7 Cg_exo -69.23 110.63 2.49 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 123.085 2.523 . . . . 0.0 111.721 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -62.09 -46.91 11.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.372 2.048 . . . . 0.0 111.413 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -170.63 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.153 176.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -116.43 79.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.117 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 13.8 t -83.15 178.94 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.637 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -82.24 75.84 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.608 0.242 . . . . 0.0 110.685 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 69.76 134.8 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 124.233 0.958 . . . . 0.0 111.837 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.404 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 98.4 m95 -82.53 78.1 9.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 38' ' ' ARG . 34.6 m -84.25 177.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.162 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.1 83.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.342 . . . . 0.0 111.378 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 m -61.6 -30.46 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.783 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -75.43 -44.74 42.89 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.897 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -55.69 -55.4 32.65 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.276 0.56 . . . . 0.0 111.208 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG22 ' HD2' ' A' ' 44' ' ' ARG . 45.1 mt -66.21 -29.18 45.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.631 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.45 94.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.967 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.657 ' O ' HG22 ' A' ' 46' ' ' VAL . 11.7 t -62.85 -57.86 10.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -60.92 -38.53 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HD2' HG22 ' A' ' 40' ' ' ILE . 29.1 mtt180 -63.97 -51.88 62.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.791 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA3' HD11 ' A' ' 26' ' ' LEU . . . -61.17 -50.76 63.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.929 -175.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 42' ' ' VAL . 22.3 m -66.8 -64.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.993 0.397 . . . . 0.0 111.448 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.617 HG13 HG23 ' A' ' 46' ' ' VAL . 42.4 mt -62.13 -43.35 97.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 122.748 0.419 . . . . 0.0 112.013 -168.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -88.56 -40.37 13.43 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.467 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' HA3' HG11 ' A' ' 13' ' ' VAL . . . -101.15 -52.65 1.06 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.277 -0.963 . . . . 0.0 114.579 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.59 -75.27 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -166.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 55' ' ' GLU . 2.0 pp -141.21 168.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -70.99 169.45 14.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.384 0.611 . . . . 0.0 111.105 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.26 -28.55 69.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.95 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.73 79.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.065 0.46 . . . . 0.0 110.45 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.55 ' HB2' HD13 ' A' ' 51' ' ' ILE . 7.4 mm-40 -72.59 -44.08 62.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -55.43 -49.66 71.83 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.194 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -55.71 -47.32 77.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.644 0.259 . . . . 0.0 110.571 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -60.85 -42.36 97.67 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.0 m -100.29 -53.2 3.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 112.064 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 32.5 m-85 -105.53 15.63 26.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.049 -173.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -72.35 -23.5 77.84 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.213 -175.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 44.05 -97.95 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.526 0.73 . . . . 0.0 111.214 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -115.94 127.33 54.88 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 166.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.44 -40.72 62.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 123.293 0.37 . . . . 0.0 110.829 -174.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.23 -36.15 83.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.262 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.96 -51.78 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -62.81 -45.97 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.398 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.41 -37.07 72.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.71 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -62.68 -35.97 81.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -66.08 -46.89 76.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.16 0.505 . . . . 0.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.64 -42.46 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.015 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -62.31 -35.72 79.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.509 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.37 72.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -77.28 -27.76 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.522 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.556 ' HA ' HG21 ' A' ' 84' ' ' VAL . . . -85.73 8.13 20.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.239 -175.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.8 58.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.9 p80 58.73 16.53 4.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.349 176.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.74 10.13 50.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 13.9 tmtt? -92.56 -45.97 7.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.983 0.42 . . . . 0.0 110.536 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.59 24.9 9.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.212 0.53 . . . . 0.0 110.674 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.88 -6.88 13.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.734 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -99.54 0.98 43.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD2' ' O ' ' A' ' 83' ' ' LYS . 3.4 tmmm? -114.37 -34.84 5.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.826 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 75' ' ' ALA . 40.7 t -59.5 114.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.596 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -55.34 -43.32 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.26 82.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.148 0.499 . . . . 0.0 111.538 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.66 -41.46 14.2 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -59.08 -36.37 74.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.014 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -64.54 -52.11 59.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -57.96 -45.67 86.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 91' ' ' ARG . 6.6 tpt180 -66.89 -41.6 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.204 -176.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -77.87 -27.86 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.028 0.442 . . . . 0.0 110.624 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.5 tp . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 178.299 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 p -162.16 157.14 22.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.524 HG11 ' HA2' ' A' ' 49' ' ' GLY . 2.3 m -112.84 118.61 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.467 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.647 ' HA ' ' O ' ' A' ' 19' ' ' SER . 23.9 m -77.9 115.54 17.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.392 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 18' ' ' GLY . 37.6 mt -66.4 154.34 90.9 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.6 -30.79 9.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.312 2.674 . . . . 0.0 112.622 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -142.39 11.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 15' ' ' LEU . . . -116.47 24.78 9.55 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.584 -1.293 . . . . 0.0 114.286 -166.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.647 ' O ' ' HA ' ' A' ' 14' ' ' THR . 61.1 m 62.46 -172.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.976 0.417 . . . . 0.0 111.602 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 20' ' ' ILE . 12.1 pt -76.82 106.62 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.39 0.614 . . . . 0.0 110.643 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.4 ttt -96.13 124.22 40.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.773 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -102.34 160.66 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -72.02 -5.58 36.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.011 0.434 . . . . 0.0 110.707 -178.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.71 -13.97 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.093 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.02 -0.93 57.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' A' ' 23' ' ' ARG . 79.8 mt -81.65 129.08 66.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.745 -175.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.666 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 71.7 Cg_exo -49.07 125.02 12.47 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.875 3.05 . . . . 0.0 112.362 171.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.73 41.13 0.77 Allowed 'Trans proline' 0 N--CA 1.472 0.236 0 C-N-CA 123.459 2.773 . . . . 0.0 113.204 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.58 -60.43 0.47 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.757 0.661 . . . . 0.0 111.191 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -94.53 48.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.29 0.567 . . . . 0.0 109.883 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.666 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.3 m -51.21 131.67 28.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.954 177.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -84.2 -11.55 56.33 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.98 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.4 mpt_? -126.15 85.85 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.408 176.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -89.09 66.83 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.98 0.419 . . . . 0.0 110.642 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 m -80.17 159.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -55.46 -49.28 72.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.191 0.307 . . . . 0.0 110.942 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m -58.59 -28.05 65.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.656 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 42' ' ' VAL . 18.8 ttm180 -81.69 -44.78 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.335 -0.228 . . . . 0.0 111.251 -176.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' HG23 ' A' ' 42' ' ' VAL . 14.8 ptpt -68.38 -33.37 74.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.876 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 74' ' ' LEU . 29.4 mm -62.77 -35.7 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.088 0.47 . . . . 0.0 110.085 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.67 69.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 27' ' ' PRO . 28.4 t -61.33 -54.35 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -60.2 -41.28 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.153 178.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 44' ' ' ARG . 53.2 mtt180 -62.71 -47.35 84.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.712 0.291 . . . . 0.0 110.625 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.4 -38.1 93.29 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.289 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.579 HG23 HG13 ' A' ' 47' ' ' ILE . 28.1 m -78.76 -59.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.421 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.579 HG13 HG23 ' A' ' 46' ' ' VAL . 70.2 mt -65.58 -47.78 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.021 0.439 . . . . 0.0 111.872 -172.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -85.0 -25.04 27.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.353 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.524 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.21 -75.33 1.13 Allowed Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.5 -0.857 . . . . 0.0 115.036 -169.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 23' ' ' ARG . 8.0 mp -106.31 -76.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -162.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.24 173.84 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.55 . . . . 0.0 112.33 -166.018 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -79.69 171.42 15.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.374 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 67' ' ' PHE . 35.0 tp -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.198 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.54 -53.81 53.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.5 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -64.24 -43.85 93.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 0.0 109.815 -179.384 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.43 -9.68 57.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.735 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -94.55 -44.78 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.362 . . . . 0.0 110.364 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 -30.56 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.67 0.272 . . . . 0.0 110.923 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.4 m -100.25 -54.4 2.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.9 m-85 -106.1 17.09 24.06 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.7 -29.49 49.41 Favored Glycine 0 C--N 1.331 0.266 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 -169.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 52.25 -91.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 121.681 0.753 . . . . 0.0 110.531 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 40.3 m -148.05 144.4 27.87 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.43 -47.92 72.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.988 0.18 . . . . 0.0 111.472 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 3.1 tp10 -62.89 -35.84 81.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 111.225 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.28 -54.79 43.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 53' ' ' LEU . 38.2 t80 -62.08 -38.85 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.547 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -57.99 -41.13 82.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.0 m -61.81 -34.56 76.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.02 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -64.78 -54.81 25.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 109.92 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.69 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.932 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 t -63.67 -34.41 77.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 110.675 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.85 -32.94 46.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.115 0.483 . . . . 0.0 110.294 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 40' ' ' ILE . 89.3 mt -79.0 -19.45 51.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.949 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.86 -11.43 59.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.356 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.24 -67.36 0.22 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.353 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -88.28 -44.87 10.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.902 0.382 . . . . 0.0 110.566 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.46 -142.23 33.59 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 69.16 -65.68 0.28 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.649 0.78 . . . . 0.0 111.387 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.415 ' OD2' ' HD2' ' A' ' 83' ' ' LYS . 10.6 t70 -84.96 -55.84 3.86 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.515 -177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 67.99 1.0 2.57 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.235 -0.893 . . . . 0.0 113.011 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.0 tp -88.67 -35.04 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.045 0.45 . . . . 0.0 110.447 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD2' ' OD2' ' A' ' 80' ' ' ASP . 8.3 mptt -93.92 5.52 51.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.43 125.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -51.79 -47.86 64.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.79 70.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 87' ' ' LEU . 2.7 tm? -89.67 -38.7 13.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -173.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.18 -45.91 75.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.8 174.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 36.6 mtpt -67.1 -41.42 86.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.75 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -57.42 -51.79 67.99 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.404 0.44 . . . . 0.0 110.434 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -69.41 -45.35 69.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.59 -29.04 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 120.541 0.21 . . . . 0.0 110.722 178.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.466 ' HB2' HG22 ' A' ' 22' ' ' THR . 20.8 t -136.03 145.22 45.82 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.613 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.3 m -116.37 139.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.58 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -93.91 107.52 19.41 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.01 139.72 88.05 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.07 -6.54 5.11 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 123.115 2.543 . . . . 0.0 111.479 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.48 -24.91 62.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.771 176.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.81 1.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.675 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -159.04 135.54 9.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 pt -91.2 127.74 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.302 0.572 . . . . 0.0 110.546 176.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.7 mmm -122.67 142.39 50.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 12' ' ' SER . 66.6 p -114.64 171.4 7.66 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -31.27 70.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.25 62.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.933 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -76.9 -23.28 52.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.41 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.534 HD21 ' HA3' ' A' ' 45' ' ' GLY . 91.7 mt -70.28 131.95 88.24 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.489 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.642 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 19.1 Cg_exo -38.41 119.05 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 124.318 3.346 . . . . 0.0 113.322 176.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.24 47.72 2.11 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.36 2.707 . . . . 0.0 112.915 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.97 -51.53 0.68 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.742 0.817 . . . . 0.0 111.743 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -64.79 -77.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 4.8 m 65.22 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.995 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -86.56 108.97 18.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.012 0.434 . . . . 0.0 111.612 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 34' ' ' TRP . 30.4 ttp180 76.61 -35.37 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.863 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.48 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 81.5 m95 68.74 100.23 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.029 0.442 . . . . 0.0 111.776 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' ARG . 26.9 m -90.74 154.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -60.94 -40.39 93.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.9 t -58.36 -34.57 70.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.802 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.9 ttm-85 -80.39 -30.06 37.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.688 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 24.7 mtpp -64.71 -46.93 80.19 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.444 HG23 HD21 ' A' ' 74' ' ' LEU . 74.9 mt -62.58 -31.95 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.5 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.28 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.197 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -67.37 -55.79 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.831 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.471 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -58.49 -41.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 48' ' ' TYR . 72.1 mtm180 -71.14 -33.79 70.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.804 0.335 . . . . 0.0 110.694 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.534 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.82 -47.96 36.9 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.819 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 47' ' ' ILE . 29.5 m -72.92 -50.76 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 122.677 -0.308 . . . . 0.0 111.798 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.614 HG13 HG23 ' A' ' 46' ' ' VAL . 84.5 mt -72.34 -40.75 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 111.838 -172.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.553 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 88.4 t80 -88.75 -26.75 21.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 0.0 111.076 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.45 -57.28 0.84 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.611 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB3' HG23 ' A' ' 51' ' ' ILE . 3.5 mm? -106.1 -75.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -164.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -135.16 -173.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.115 0.483 . . . . 0.0 112.289 -164.558 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.469 ' HB ' ' OH ' ' A' ' 90' ' ' TYR . 44.8 p -90.04 177.74 6.38 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.224 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 67' ' ' PHE . 46.3 tp -70.78 -19.81 62.66 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.592 0.234 . . . . 0.0 110.753 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.37 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HB2' HG13 ' A' ' 51' ' ' ILE . 4.7 mp0 -70.7 -38.93 73.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.141 0.496 . . . . 0.0 110.125 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -72.23 -6.63 44.3 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.352 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.436 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 37.2 ttmt -92.82 -41.11 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -58.48 -44.4 89.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.034 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 m -96.68 -53.38 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.905 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 44.1 m-85 -106.93 16.52 24.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -171.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -55.96 -37.44 70.64 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 50.3 -92.53 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 -174.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.405 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 22.6 m -143.02 147.13 34.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.139 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.11 -48.38 81.93 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.782 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.03 -38.09 78.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.14 -61.8 2.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.456 ' CE1' HD13 ' A' ' 53' ' ' LEU . 28.7 t80 -60.28 -42.38 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -65.46 -30.59 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.2 t -62.91 -32.73 74.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.471 ' HE3' HG13 ' A' ' 43' ' ' VAL . 21.6 m0 -68.65 -49.24 60.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 109.986 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.35 -38.42 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.27 -34.16 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.939 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -32.97 65.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.179 0.514 . . . . 0.0 110.269 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD21 HG23 ' A' ' 40' ' ' ILE . 96.5 mt -79.48 -10.65 59.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.647 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -97.3 7.06 47.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.777 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 8.0 tp10 70.2 -82.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.614 0.571 . . . . 0.0 109.782 -176.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' CD2' ' HG3' ' A' ' 76' ' ' GLU . 84.5 m-70 -135.11 -2.7 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.304 176.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.06 -82.07 0.54 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.188 -0.53 . . . . 0.0 112.18 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 69.96 -66.57 0.27 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.505 1.122 . . . . 0.0 111.559 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.16 -36.33 9.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.398 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 64.34 20.11 12.04 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.652 0.595 . . . . 0.0 110.956 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -108.71 -33.25 7.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.538 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -104.09 5.77 35.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.092 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.09 105.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.327 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.4 m -45.4 -59.6 2.6 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.826 0.704 . . . . 0.0 112.875 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.64 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.86 -42.36 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -174.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -60.51 -38.17 83.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.848 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -74.37 -38.35 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.468 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.469 ' OH ' ' HB ' ' A' ' 52' ' ' THR . 70.3 t80 -61.64 -31.11 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.02 0.438 . . . . 0.0 110.7 177.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -89.77 -40.67 12.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.14 -26.32 63.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.817 0.342 . . . . 0.0 111.45 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 121.374 0.607 . . . . 0.0 110.261 177.009 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-O 121.272 0.558 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -140.21 136.39 33.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.901 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.76 136.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.02 -176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -100.18 110.06 22.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.798 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD13 HH11 ' A' ' 44' ' ' ARG . 91.1 mt -81.77 146.84 57.23 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.014 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -62.84 -3.53 4.73 Favored 'Trans proline' 0 N--CA 1.478 0.59 0 C-N-CA 123.334 2.69 . . . . 0.0 113.583 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.14 -1.32 57.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.03 39.57 10.02 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 128.06 36.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.62 126.74 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.084 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.9 mtp -120.8 143.85 48.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.708 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -101.45 177.85 4.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.865 0.365 . . . . 0.0 110.326 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' A' ' 50' ' ' LEU . 34.6 ttp-105 -73.84 -1.92 21.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.993 0.425 . . . . 0.0 110.855 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.55 0.44 20.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.163 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.59 0.37 55.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.754 0.311 . . . . 0.0 111.504 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HA3' ' A' ' 45' ' ' GLY . 78.6 mt -83.43 134.04 46.09 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.639 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 84.4 Cg_exo -51.48 111.55 0.61 Allowed 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.967 2.445 . . . . 0.0 112.132 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 31.4 Cg_exo -60.99 -48.56 10.09 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.046 2.498 . . . . 0.0 112.745 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -172.49 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.769 0.795 . . . . 0.0 109.873 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -46.07 12.89 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.396 -177.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.639 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 32.4 m 69.63 120.88 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.982 0.802 . . . . 0.0 111.012 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 4.6 ttp180 -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -157.37 115.56 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.817 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -78.86 116.92 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 38' ' ' ARG . 35.3 m -119.98 173.87 5.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 168.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.36 99.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.862 0.363 . . . . 0.0 110.68 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -66.56 -24.18 66.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.179 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HD2' ' HG3' ' A' ' 27' ' ' PRO . 19.5 tpp180 -72.73 -40.69 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.145 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.4 mttt -65.95 -45.12 82.94 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.186 0.517 . . . . 0.0 110.479 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.09 -35.62 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.227 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.41 -30.77 71.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.316 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG22 ' HG2' ' A' ' 27' ' ' PRO . 18.9 t -66.02 -55.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -62.88 -35.53 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.537 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.843 HH11 HD13 ' A' ' 15' ' ' LEU . 49.6 mtt180 -66.62 -48.98 67.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.097 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.553 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -67.15 -30.27 75.49 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.534 -174.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 47' ' ' ILE . 27.5 m -84.33 -57.75 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 HG23 ' A' ' 46' ' ' VAL . 82.6 mt -67.15 -47.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.97 0.414 . . . . 0.0 111.961 -172.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -90.8 -16.13 28.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.205 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.83 -75.32 1.11 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.282 -0.961 . . . . 0.0 114.567 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' HG3' ' A' ' 23' ' ' ARG . 68.9 mt -107.56 -76.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -163.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.652 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -119.49 -174.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.11 0.481 . . . . 0.0 112.293 -165.452 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -86.43 171.88 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.134 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.57 -22.37 66.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.375 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.46 -58.12 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' HG13 ' A' ' 51' ' ' ILE . 24.4 tp10 -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.101 0.476 . . . . 0.0 110.513 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.47 69.34 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.347 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.509 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.6 ttpp -83.27 -41.71 18.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.015 0.436 . . . . 0.0 110.254 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.49 -38.1 86.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -97.45 -57.31 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.714 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -98.61 15.0 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.43 -173.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -76.22 -10.73 85.34 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.563 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.491 HD11 ' CH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 41.9 -97.34 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.507 0.723 . . . . 0.0 111.69 178.554 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.5 p -120.8 143.54 48.79 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.81 -37.22 70.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.887 0.375 . . . . 0.0 111.192 -172.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.33 -34.69 65.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.581 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -64.08 -46.47 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.351 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.29 -41.78 99.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.974 0.416 . . . . 0.0 110.05 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -69.01 -27.18 65.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -61.87 -40.13 94.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.323 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.491 ' CH2' HD11 ' A' ' 62' ' ' LEU . 28.2 m0 -62.97 -52.0 64.7 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 109.962 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.28 -37.19 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.707 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 m -65.29 -36.66 84.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.53 58.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.375 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.9 mt -80.74 -8.92 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.584 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.94 -12.81 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.191 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 67.16 -57.59 0.42 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.322 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -82.83 -57.19 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.323 0.582 . . . . 0.0 110.173 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 10.72 85.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.601 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 43.1 mtpt -115.29 -39.09 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.451 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.86 -47.82 64.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.732 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 57.81 21.01 7.04 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.607 0.567 . . . . 0.0 111.254 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.99 -41.06 4.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 -172.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 83.6 tttt -109.74 24.53 12.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.584 0.707 . . . . 0.0 110.528 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.1 t -76.07 97.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.4 m -54.42 -49.24 70.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.505 0.503 . . . . 0.0 112.023 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.2 80.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.014 0.435 . . . . 0.0 111.75 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -86.63 -45.61 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -173.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.69 -32.88 74.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.592 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -67.93 -50.29 56.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -54.36 -52.06 62.81 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.952 0.783 . . . . 0.0 110.436 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -60.14 -51.27 70.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -85.63 0.41 52.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 111.742 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.321 -0.631 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 173.237 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HE ' ' HA ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 120.966 0.413 . . . . 0.0 110.585 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' MET . 25.5 t -113.3 140.03 48.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 175.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.558 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.3 m -130.73 150.22 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.587 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -96.79 103.78 15.72 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.13 141.4 97.39 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.353 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HG2' HG21 ' A' ' 85' ' ' THR . 27.8 Cg_exo -62.79 -6.12 8.61 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.059 2.506 . . . . 0.0 111.79 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -78.29 -20.44 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.055 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.99 39.95 2.77 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.906 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -139.16 133.13 31.02 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.689 0.28 . . . . 0.0 110.604 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 pt -92.32 112.39 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.276 0.56 . . . . 0.0 109.509 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.453 ' O ' ' HA ' ' A' ' 12' ' ' SER . 9.8 tpt -103.16 132.19 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.653 -172.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -121.42 175.32 6.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.797 0.332 . . . . 0.0 110.286 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -67.56 -23.16 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.247 0.546 . . . . 0.0 109.865 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.62 -8.35 59.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.757 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -96.42 1.11 51.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.582 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.537 HD21 ' HA3' ' A' ' 45' ' ' GLY . 94.7 mt -99.87 135.26 20.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.572 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.0 Cg_exo -65.06 108.35 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 123.2 2.6 . . . . 0.0 110.512 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.515 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 60.1 Cg_endo -73.16 61.1 3.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.95 2.434 . . . . 0.0 112.368 -176.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.59 9.43 5.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.005 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -166.22 113.69 0.89 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 122.211 1.005 . . . . 0.0 109.727 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.572 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 9.6 t -118.69 159.47 23.58 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.357 168.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.5 mmp_? -68.57 -24.7 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -160.71 134.05 6.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.114 0.483 . . . . 0.0 110.941 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.677 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 97.5 m95 -90.28 80.41 6.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.9 m -78.55 155.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.26 71.16 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 111.66 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -59.16 -39.6 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 42' ' ' VAL . 13.7 ttt180 -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.471 -175.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.677 ' HD3' ' HB3' ' A' ' 34' ' ' TRP . 10.1 mmmm -65.15 -51.1 63.21 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.606 HD12 HD21 ' A' ' 74' ' ' LEU . 46.7 mm -61.0 -37.2 76.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.683 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.23 80.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.415 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 38' ' ' ARG . 21.3 t -62.64 -54.56 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -52.07 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.79 -37.53 87.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.577 0.227 . . . . 0.0 110.924 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.537 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.72 -43.48 59.54 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.989 -178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 42' ' ' VAL . 35.0 m -78.65 -46.58 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 117.133 0.467 . . . . 0.0 111.832 -177.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 HG23 ' A' ' 46' ' ' VAL . 63.1 mt -72.6 -53.98 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.963 0.411 . . . . 0.0 111.567 -174.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.625 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 34.7 t80 -87.61 -17.63 31.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -173.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.93 -56.12 0.9 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.512 -0.851 . . . . 0.0 114.102 -174.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -103.67 -71.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -168.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.543 HD13 ' HB3' ' A' ' 55' ' ' GLU . 1.6 pp -142.82 -172.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -166.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.58 157.73 31.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.03 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB3' ' OH ' ' A' ' 90' ' ' TYR . 44.7 tp -58.24 -29.39 65.71 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -177.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.78 -48.13 78.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.604 0.24 . . . . 0.0 111.322 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HB3' HD13 ' A' ' 51' ' ' ILE . 16.9 tp10 -66.71 -46.48 75.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 0.0 110.871 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -9.71 58.13 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.737 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 39.4 ttmt -88.52 -40.76 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 82.2 mm-40 -67.11 -27.39 67.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.256 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.9 m -100.38 -62.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.788 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.515 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 27.0 m-85 -106.03 15.18 26.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -174.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -63.38 -21.88 64.92 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 114.905 0.722 . . . . 0.0 114.905 -167.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 55.18 -97.05 0.07 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -176.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.516 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m -129.55 141.82 50.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 166.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.47 -49.7 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.319 0.387 . . . . 0.0 110.969 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.56 -39.47 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.01 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -69.51 -49.48 54.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.92 -41.62 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.402 . . . . 0.0 110.193 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.46 -18.57 62.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.625 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -70.07 -29.53 66.55 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.788 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.488 ' CH2' HD11 ' A' ' 62' ' ' LEU . 47.6 m0 -66.35 -45.87 78.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.7 t -66.0 -30.8 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.169 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -67.3 -33.85 76.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.81 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.292 0.568 . . . . 0.0 110.267 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.606 HD21 HD12 ' A' ' 40' ' ' ILE . 96.0 mt -90.61 -2.57 57.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.842 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.72 84.01 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.131 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.699 ' HB3' ' HD3' ' A' ' 79' ' ' LYS . 38.6 mt-10 55.4 24.27 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.146 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 11.3 m170 -69.41 -23.52 63.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 174.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.26 -13.17 70.13 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.273 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.699 ' HD3' ' HB3' ' A' ' 76' ' ' GLU . 36.4 mtpt -97.15 -73.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.226 0.536 . . . . 0.0 110.371 178.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -132.5 -30.56 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.098 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 77' ' ' HIS . . . 74.93 0.09 3.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.48 0.712 . . . . 0.0 112.264 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -117.93 156.82 27.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 67.81 -4.17 1.03 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.53 106.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.532 HG21 ' HG2' ' A' ' 16' ' ' PRO . 24.2 p -55.2 -63.46 1.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.776 -171.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -34.83 61.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.35 -51.91 7.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -173.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 63.1 tttm -63.58 -36.18 82.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.23 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HG3' ' HE1' ' A' ' 48' ' ' TYR . 29.0 mmtp -73.56 -35.21 65.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.322 -178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.457 ' OH ' ' HB3' ' A' ' 53' ' ' LEU . 37.0 t80 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -80.87 -30.71 35.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.439 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 19.4 tp60 -67.61 -33.85 75.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.089 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.535 178.35 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.71 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.3 p -111.81 123.27 49.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.345 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.78 153.79 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.0 m -102.5 108.71 20.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.47 161.38 79.39 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.85 11.4 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.128 2.552 . . . . 0.0 113.143 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -99.4 -7.78 25.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 109.474 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.43 15.42 68.78 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -104.48 150.58 24.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.753 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 pt -100.17 130.13 49.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 ttm -126.06 119.57 27.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.921 175.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 4.4 m -89.85 154.92 19.51 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -69.34 -8.29 44.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.066 0.46 . . . . 0.0 110.518 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.61 -10.45 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.778 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -88.06 -13.47 41.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 109.795 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.77 148.19 47.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.471 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.622 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 76.3 Cg_exo -47.67 109.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.244 2.629 . . . . 0.0 111.075 166.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.72 -38.17 90.38 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.638 2.225 . . . . 0.0 112.42 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -176.93 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.067 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -129.34 87.44 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.258 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.622 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 5.6 m -67.05 125.55 26.37 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 169.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -73.43 -26.03 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.562 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -135.43 106.75 6.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.968 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HG2' ' A' ' 39' ' ' LYS . 82.3 m95 -87.92 132.83 34.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 38' ' ' ARG . 18.3 m -119.67 157.24 21.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.43 80.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.0 m -59.27 -31.84 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 111.516 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.4 ttt180 -77.62 -28.68 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.314 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 70' ' ' TRP . 82.8 mttt -74.53 -39.7 62.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 109.85 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.607 HG23 HD21 ' A' ' 74' ' ' LEU . 75.8 mt -58.43 -38.58 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.115 173.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.25 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.018 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 38' ' ' ARG . 19.5 t -61.35 -56.54 17.15 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.923 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.487 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -60.37 -40.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -177.419 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -72.11 -37.69 69.46 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.303 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.72 -48.82 59.48 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.409 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.691 HG23 HG13 ' A' ' 47' ' ' ILE . 24.4 m -68.7 -56.46 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 O-C-N 122.721 -0.282 . . . . 0.0 111.662 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.691 HG13 HG23 ' A' ' 46' ' ' VAL . 81.2 mt -70.02 -44.36 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.33 0.394 . . . . 0.0 111.912 -170.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -85.27 -29.96 24.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.028 0.442 . . . . 0.0 111.115 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -60.75 0.81 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.328 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.14 -76.25 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -165.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.15 171.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.2 0.524 . . . . 0.0 112.349 -166.232 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -69.38 165.0 21.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.732 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.93 -33.59 73.4 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.893 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.67 -45.54 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.83 -9.65 58.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.855 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -89.36 -36.39 15.54 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 30.0 mm-40 -65.42 -43.0 91.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.251 0.548 . . . . 0.0 110.01 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -92.18 -54.25 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.447 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.456 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 74.4 m-85 -105.69 16.51 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -171.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.14 -21.21 69.8 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.15 -173.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 45.44 -96.47 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.44 0.696 . . . . 0.0 111.34 -177.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.532 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 51.0 m -140.5 144.45 36.0 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.13 -48.34 44.81 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.458 0.474 . . . . 0.0 111.578 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.683 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.15 -44.82 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.44 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.668 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -66.14 -32.54 74.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.442 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -60.28 -40.21 89.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.859 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.498 ' CE2' ' HB3' ' A' ' 39' ' ' LYS . 38.1 m0 -63.95 -51.41 64.51 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-O 121.134 0.492 . . . . 0.0 110.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.08 -43.23 98.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.997 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.0 m -65.76 -30.41 71.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.55 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 109.921 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD21 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -79.49 -19.77 48.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.814 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . . . -75.04 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.509 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 74.86 -38.59 0.39 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.883 0.739 . . . . 0.0 110.204 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 75' ' ' ALA . 79.9 m-70 -129.56 122.48 29.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 171.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.92 55.86 3.89 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.028 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.53 -51.46 0.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.136 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.7 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.614 -174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . . . 70.05 -9.93 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.404 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.7 tp -76.28 -13.8 60.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.39 0.614 . . . . 0.0 110.32 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.96 -20.03 56.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.686 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.82 119.75 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.208 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 m -53.75 -38.23 64.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 111.924 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.34 55.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.601 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 87' ' ' LEU . 2.3 tm? -87.83 -39.9 14.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.38 -38.45 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.743 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 18.8 mmtp -71.52 -34.3 69.95 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 176.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -66.82 -16.57 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 110.366 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -94.84 -49.44 5.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.2 -33.68 76.36 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 -177.833 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 121.524 0.678 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -121.07 144.02 48.77 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.979 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.518 HG11 ' HA2' ' A' ' 49' ' ' GLY . 9.3 m -105.41 131.08 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.063 0.459 . . . . 0.0 111.022 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -92.53 111.36 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -84.34 156.59 62.7 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.71 -4.39 7.04 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.899 2.399 . . . . 0.0 112.494 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.03 -20.22 42.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.102 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.72 -21.62 41.61 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -80.6 134.35 35.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.417 -0.391 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 pt -95.85 133.95 35.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.228 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.411 ' HB2' HG23 ' A' ' 13' ' ' VAL . 86.4 mmm -106.4 135.32 48.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.978 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.33 162.88 26.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.861 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.32 -11.95 46.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.9 -9.89 35.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.314 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.48 -11.29 29.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.044 0.449 . . . . 0.0 111.058 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 50' ' ' LEU . 48.3 mt -68.69 139.95 91.6 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.941 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 25.9 Cg_exo -64.36 115.3 3.1 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 111.536 170.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 7.2 Cg_exo -73.74 64.37 4.84 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 123.157 2.571 . . . . 0.0 112.132 -178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.13 -54.05 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.757 0.823 . . . . 0.0 111.9 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.547 ' O ' HG22 ' A' ' 31' ' ' THR . 13.2 p30 -98.14 -42.6 7.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.575 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 0.6 OUTLIER 62.03 -2.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.184 0.994 . . . . 0.0 112.567 177.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 30' ' ' ASN . 25.0 mtp85 73.19 -34.47 0.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.463 1.105 . . . . 0.0 112.419 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -154.1 113.48 3.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -86.36 126.32 34.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.752 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 38' ' ' ARG . 31.2 m -122.12 172.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 170.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -57.11 -48.29 78.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.583 0.23 . . . . 0.0 111.463 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.1 p -65.48 -29.18 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.601 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.6 mmt180 -61.55 -44.05 97.75 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.24 -48.06 68.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.494 HG23 HD21 ' A' ' 74' ' ' LEU . 45.8 mm -62.33 -28.08 43.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.7 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.38 -29.35 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.184 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 38' ' ' ARG . 10.5 t -69.85 -52.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.485 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -56.29 -54.05 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -66.83 -31.05 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.006 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.39 -44.26 90.82 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.56 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.448 HG23 HG13 ' A' ' 47' ' ' ILE . 27.4 m -80.91 -47.76 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.448 HG13 HG23 ' A' ' 46' ' ' VAL . 83.0 mt -68.11 -37.31 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -173.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -93.53 -32.39 14.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.48 -55.89 0.88 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.935 -170.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 26' ' ' LEU . 90.9 mt -105.31 -76.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -164.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.498 HD13 ' HB3' ' A' ' 55' ' ' GLU . 1.7 pp -143.51 -175.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -165.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 p -83.56 177.9 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.241 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.496 ' HG ' ' HE2' ' A' ' 57' ' ' LYS . 57.3 tp -61.54 -29.74 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.609 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.28 -55.53 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.759 0.314 . . . . 0.0 111.408 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB3' HD13 ' A' ' 51' ' ' ILE . 25.5 tp10 -65.22 -42.28 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.129 0.49 . . . . 0.0 110.17 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.5 -27.47 67.62 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.947 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 41.7 mtmt -83.56 -33.06 25.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.654 -0.819 . . . . 0.0 111.37 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.39 -39.72 92.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.889 0.376 . . . . 0.0 110.804 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.7 m -96.9 -53.53 3.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.591 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.6 m-85 -106.1 16.68 24.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.36 -171.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.656 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -62.17 -23.99 64.73 Favored Glycine 0 C--O 1.227 -0.343 0 CA-C-O 118.483 -1.176 . . . . 0.0 115.93 -166.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 32.05 -95.63 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.389 0.676 . . . . 0.0 112.382 -176.085 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 m -127.33 131.6 50.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.59 -42.46 88.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.954 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 2.9 mp0 -53.3 -44.27 68.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.232 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.58 -51.32 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.443 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE1' HD13 ' A' ' 53' ' ' LEU . 21.3 t80 -57.85 -44.65 86.68 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.741 -177.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -65.41 -29.55 70.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.3 m -65.14 -37.03 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.612 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.485 ' HE3' HG13 ' A' ' 43' ' ' VAL . 32.7 m0 -64.5 -51.14 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.962 0.41 . . . . 0.0 109.923 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 87' ' ' LEU . 41.3 t -60.0 -39.3 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.3 m -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.71 -29.52 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.232 0.539 . . . . 0.0 110.517 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD21 HG23 ' A' ' 40' ' ' ILE . 92.5 mt -81.91 -6.56 59.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.772 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.41 -8.69 57.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.05 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.73 -58.67 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.477 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -154.56 131.28 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.427 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.24 24.4 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.741 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 179.93 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.894 0.378 . . . . 0.0 110.529 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -131.64 -57.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.703 -173.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 76.66 -18.57 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.658 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.36 -34.13 15.8 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.03 0.443 . . . . 0.0 110.527 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -83.61 9.65 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.45 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -68.29 117.42 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -54.27 -45.16 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.419 0.449 . . . . 0.0 112.122 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.88 66.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.869 0.366 . . . . 0.0 111.952 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.415 HD23 HG11 ' A' ' 71' ' ' VAL . 1.7 tm? -83.22 -47.17 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.72 -40.09 82.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.044 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.44 -46.91 84.13 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.317 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -56.14 -43.98 78.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.787 0.327 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -73.33 -43.62 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 111.52 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.36 -32.57 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 111.009 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.6 -179.627 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 4.9 mmp_? . . . . . 0 CA--C 1.513 -0.472 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.682 ' HB3' HG22 ' A' ' 22' ' ' THR . 4.0 p -99.65 174.14 6.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.71 -171.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.551 HG11 ' HA2' ' A' ' 49' ' ' GLY . 1.3 m -129.16 119.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.148 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.3 m -84.07 136.95 33.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.447 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.579 HD11 ' HE ' ' A' ' 44' ' ' ARG . 82.1 mt -94.96 153.12 39.94 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.126 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.13 -22.0 30.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.043 2.495 . . . . 0.0 112.347 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.95 -30.35 67.83 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -13.47 26.76 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.388 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -90.51 139.81 30.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.912 0.387 . . . . 0.0 110.672 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 pt -99.38 153.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.056 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.574 ' HG3' ' HB2' ' A' ' 25' ' ' ASP . 33.6 ttm -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.929 0.395 . . . . 0.0 111.09 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 12' ' ' SER . 67.0 p -103.4 -179.86 4.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.258 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -69.79 -18.78 63.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.805 173.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.26 -28.07 42.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.574 ' HB2' ' HG3' ' A' ' 21' ' ' MET . 22.2 m-20 -76.68 -18.86 58.31 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.301 0.572 . . . . 0.0 109.915 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' HA3' ' A' ' 45' ' ' GLY . 96.1 mt -84.5 137.77 38.86 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.344 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.769 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 66.4 Cg_exo -44.08 122.75 3.76 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 123.856 3.038 . . . . 0.0 111.992 171.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 32.1 Cg_exo -59.47 -53.75 3.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.958 2.438 . . . . 0.0 112.383 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.66 -53.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.046 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -82.39 -56.45 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.688 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.769 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.9 m 63.08 89.02 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.664 0.603 . . . . 0.0 110.408 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -84.37 21.64 1.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.926 -171.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.553 ' HG3' HG13 ' A' ' 35' ' ' VAL . 29.3 tpt180 -163.46 89.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.859 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -83.85 90.0 7.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.303 0.573 . . . . 0.0 110.911 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 33' ' ' ARG . 34.0 m -94.17 167.11 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.11 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -55.51 -45.03 77.13 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.478 0.486 . . . . 0.0 111.381 -176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -58.67 -41.64 86.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.256 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 42' ' ' VAL . 70.4 mtt-85 -73.2 -33.86 65.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.502 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 58.4 mtpt -58.57 -55.18 38.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.179 0.514 . . . . 0.0 110.032 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 57.5 mt -62.83 -37.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.312 177.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.13 79.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.356 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' ARG . 34.5 t -63.77 -54.3 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.223 -0.191 . . . . 0.0 110.844 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.95 -45.58 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -73.61 -28.35 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.485 177.494 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.63 ' N ' ' HD3' ' A' ' 44' ' ' ARG . . . -72.48 -39.56 56.34 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.382 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG23 HG13 ' A' ' 47' ' ' ILE . 33.4 m -83.53 -54.64 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.673 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.58 HG23 ' HB2' ' A' ' 90' ' ' TYR . 78.9 mt -64.77 -51.29 69.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 80.4 t80 -87.85 -19.67 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.138 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.551 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -102.26 -75.12 1.08 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 114.774 -172.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.18 -75.81 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -161.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -123.38 174.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.096 0.474 . . . . 0.0 112.205 -167.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -78.0 167.66 21.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.68 -32.37 73.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.667 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.22 85.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.372 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.542 ' OE1' ' HB ' ' A' ' 51' ' ' ILE . 28.7 mt-10 -69.77 -40.67 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.547 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.1 -9.04 58.36 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.556 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 27.7 ttpp -94.99 -39.32 10.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.129 0.49 . . . . 0.0 110.294 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.29 -19.54 58.18 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.384 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -100.57 -66.36 0.91 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.502 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 90.8 m-85 -101.64 15.7 28.09 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -176.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -71.99 -14.72 76.13 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.574 -170.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.525 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 54.85 -92.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.037 0.492 . . . . 0.0 109.954 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.525 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 2.1 m -127.42 142.18 51.49 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.02 -61.3 1.94 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 68' ' ' ASN . 7.6 mm-40 -70.22 -29.29 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.717 0.294 . . . . 0.0 111.215 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 28.7 tt0 -58.2 -47.11 84.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.527 175.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.04 -42.04 63.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 65' ' ' GLU . 92.6 m-20 -61.04 -26.49 67.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.073 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 t -63.99 -32.77 74.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -71.52 -43.24 66.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.95 -41.81 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.674 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 p -69.33 -24.7 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.628 0.251 . . . . 0.0 111.129 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.65 -33.33 64.44 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.17 -14.3 53.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.868 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HA ' HG11 ' A' ' 84' ' ' VAL . . . -78.92 -22.89 45.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.495 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 69.96 -66.98 0.25 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 124.162 0.913 . . . . 0.0 110.916 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.67 -20.22 20.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -176.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.5 -79.39 1.56 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.692 173.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 81' ' ' ALA . 85.0 tttt -69.08 -24.34 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.109 0.48 . . . . 0.0 111.095 -173.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.4 m-20 -78.52 32.62 0.19 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.392 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.522 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -60.72 -17.32 47.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.774 -175.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.95 -23.29 61.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.173 0.511 . . . . 0.0 110.538 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -107.44 -3.28 19.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.243 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.4 t -76.27 124.77 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.297 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 7.1 m -49.34 -57.42 6.9 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.63 0.581 . . . . 0.0 112.219 -175.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.31 74.82 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 2.1 tm? -84.79 -40.07 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -174.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -59.35 -37.02 76.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.143 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 85' ' ' THR . 71.2 mmtt -64.69 -47.14 79.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.58 ' HB2' HG23 ' A' ' 47' ' ' ILE . 71.1 t80 -61.08 -49.28 77.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.448 -177.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.187 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -64.83 -39.43 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.271 0.557 . . . . 0.0 109.738 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.869 178.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 22' ' ' THR . 2.7 mpp_? . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.453 ' HB3' HG22 ' A' ' 22' ' ' THR . 55.8 p -118.86 113.13 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.98 136.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.459 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.5 m -97.97 107.5 19.99 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD11 ' SD ' ' A' ' 21' ' ' MET . 76.9 mt -71.19 158.62 87.7 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.433 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.28 -3.22 9.54 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.8 2.333 . . . . 0.0 110.616 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.94 -41.29 74.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.096 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.17 -30.29 6.61 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 m -79.8 145.8 32.62 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.126 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 pt -100.39 148.19 7.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.148 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.507 ' SD ' HD11 ' A' ' 15' ' ' LEU . 83.3 mtp -127.81 121.26 29.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 12' ' ' SER . 71.8 p -103.98 -178.24 3.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.844 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 3.1 tmt_? -60.54 -24.85 65.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.637 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.64 -10.53 24.89 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.38 -33.02 60.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.662 0.268 . . . . 0.0 111.243 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 pp -86.3 158.07 55.48 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.631 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.448 ' CB ' ' HB ' ' A' ' 31' ' ' THR . 38.2 Cg_endo -83.22 107.06 1.43 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.894 2.396 . . . . 0.0 111.877 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.851 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 6.0 Cg_exo -78.48 63.25 8.41 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.483 2.789 . . . . 0.0 112.051 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.98 -54.52 0.66 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.728 0.811 . . . . 0.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -95.54 75.06 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.566 0.698 . . . . 0.0 109.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 27' ' ' PRO . 13.1 t -91.71 177.95 6.06 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.988 171.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.62 -47.25 19.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.838 0.351 . . . . 0.0 110.454 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 52.9 ttt180 -148.02 128.52 14.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.756 0.312 . . . . 0.0 110.671 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.97 71.87 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.629 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.3 m -77.75 163.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.061 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . . . -56.02 -40.29 73.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 0.0 111.218 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.3 m -58.71 -39.17 80.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.438 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 42' ' ' VAL . 90.1 mtt-85 -76.37 -34.11 58.91 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.889 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HD2' ' HA ' ' A' ' 36' ' ' ALA . 67.0 mttm -57.75 -50.29 73.73 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.368 0.604 . . . . 0.0 110.002 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.29 -36.31 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.659 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.43 80.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.291 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 38' ' ' ARG . 36.1 t -61.93 -55.73 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.425 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -63.07 -32.62 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.909 -177.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.24 -53.22 52.46 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.112 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.22 -41.73 94.63 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.506 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 HG13 ' A' ' 47' ' ' ILE . 27.9 m -71.68 -57.04 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 117.346 0.573 . . . . 0.0 111.218 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.597 HG13 HG23 ' A' ' 46' ' ' VAL . 67.9 mt -67.9 -56.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 111.612 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -77.93 -26.61 49.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.327 -174.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.21 -65.17 0.81 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.304 -0.95 . . . . 0.0 114.873 -170.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.68 -74.18 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -162.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -125.48 177.26 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.415 0.626 . . . . 0.0 112.627 -163.628 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 p -82.74 173.19 12.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.26 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.83 -26.57 68.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.38 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.71 80.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.244 0.545 . . . . 0.0 110.853 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.531 ' HB2' HG13 ' A' ' 51' ' ' ILE . 16.9 mm-40 -68.12 -45.97 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.28 -12.31 61.5 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.073 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.7 ttpp -88.81 -40.15 13.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.083 0.468 . . . . 0.0 109.803 176.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.6 -46.29 88.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.646 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -92.78 -51.04 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.851 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 52.0 m-85 -105.8 16.09 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.98 -30.45 77.05 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.962 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 44.52 -96.02 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.214 0.606 . . . . 0.0 111.32 -177.151 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 18.3 m -134.05 144.44 48.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -62.81 -34.09 76.58 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.76 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -60.79 -48.31 82.38 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.419 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -60.06 -51.9 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.739 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.25 -42.45 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.827 0.346 . . . . 0.0 110.828 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -64.2 -33.34 75.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.9 p -62.33 -34.58 76.91 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.305 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.425 ' HE3' HG13 ' A' ' 43' ' ' VAL . 28.5 m0 -67.77 -53.59 25.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 109.923 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.35 -44.39 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.507 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.1 p -69.1 -31.03 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.276 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.61 -27.5 62.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.24 -27.96 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.924 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -89.62 -25.59 21.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.003 -177.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 71.88 -11.42 0.76 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.202 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' A' ' 75' ' ' ALA . 62.0 m-70 -135.86 117.01 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.59 60.14 0.68 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.625 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.487 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 22.6 mtmt -127.04 -67.03 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.577 0.703 . . . . 0.0 110.052 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.7 m-20 -62.08 -29.27 70.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.58 -175.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.03 -31.51 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.131 0.972 . . . . 0.0 110.527 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 80' ' ' ASP . 95.4 mt -86.24 -11.92 51.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.849 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -101.39 10.14 40.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.151 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 60.0 t -86.56 113.7 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -43.56 -58.23 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -20.22 60.28 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -89.34 -42.11 11.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -174.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -60.15 -39.46 86.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -72.01 -36.39 69.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.652 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.65 -13.81 62.41 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.441 0.639 . . . . 0.0 110.327 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 91' ' ' ARG . 14.6 mmm180 -97.38 -51.1 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 175.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.94 -32.27 71.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.94 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.128 -178.395 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' ' 11' ' ' ARG . 12.7 tpt180 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.471 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 22.8 m -113.26 152.84 29.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -101.86 138.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.637 173.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -101.45 117.74 35.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD13 ' HD3' ' A' ' 44' ' ' ARG . 64.5 mt -80.31 144.96 58.86 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.829 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.21 -7.16 11.29 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.011 2.474 . . . . 0.0 112.682 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -20.34 50.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.227 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.61 53.68 1.3 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.646 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t -157.16 147.33 20.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 pt -111.67 143.04 22.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 0.0 111.046 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.4 ' HE1' ' HB1' ' A' ' 41' ' ' ALA . 80.4 mtp -135.3 143.6 46.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.97 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 24' ' ' ALA . 8.8 t -142.54 -177.31 5.22 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -62.57 -5.47 2.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' H ' HG23 ' A' ' 22' ' ' THR . . . -94.23 -13.22 26.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.989 0.423 . . . . 0.0 110.897 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -99.18 -0.03 42.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -82.96 139.44 42.86 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.202 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HG2' HG22 ' A' ' 42' ' ' VAL . 85.5 Cg_exo -51.28 116.24 2.56 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.057 2.505 . . . . 0.0 111.816 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 24.6 Cg_exo -65.92 73.49 0.33 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.419 2.746 . . . . 0.0 113.175 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.8 -72.34 0.07 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.836 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.685 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.84 HG22 ' H ' ' A' ' 32' ' ' ARG . 2.6 m 62.52 -166.71 0.22 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.84 ' H ' HG22 ' A' ' 31' ' ' THR . 64.7 mmt-85 -118.96 -62.03 1.57 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -123.55 130.87 53.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.929 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -92.23 83.58 5.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 38' ' ' ARG . 27.7 m -72.87 157.23 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.811 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.16 -46.02 68.71 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.3 0.375 . . . . 0.0 111.446 -175.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -61.73 -33.7 74.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.065 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 42' ' ' VAL . 20.0 ttm180 -79.06 -32.06 44.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.918 -177.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 22.0 mtpp -63.4 -50.35 70.2 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 43' ' ' VAL . 74.1 mt -61.6 -33.12 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.273 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . -64.5 -29.93 70.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.098 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 38' ' ' ARG . 12.5 t -69.33 -51.16 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -63.72 -36.92 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.444 178.542 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' HD3' HD13 ' A' ' 15' ' ' LEU . 72.7 mtt-85 -66.28 -47.46 73.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.608 175.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.22 94.18 Favored Glycine 0 C--O 1.229 -0.217 0 CA-C-N 115.615 -0.72 . . . . 0.0 113.634 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 47' ' ' ILE . 25.0 m -81.05 -61.28 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 117.39 0.595 . . . . 0.0 111.131 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.553 HG13 HG23 ' A' ' 46' ' ' VAL . 80.2 mt -60.82 -51.4 73.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -171.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -90.01 -20.25 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 110.469 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.84 -74.33 1.08 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.294 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -105.4 -76.43 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -163.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.579 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -129.62 174.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.24 0.543 . . . . 0.0 112.151 -166.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -79.64 167.38 20.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 53.2 tp -62.14 -27.37 68.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.271 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -57.93 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HB3' HG13 ' A' ' 51' ' ' ILE . 45.0 tt0 -61.04 -38.15 85.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -62.49 -40.03 95.36 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.138 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 96.4 mttt -57.86 -50.04 74.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 118.368 0.531 . . . . 0.0 111.008 177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -58.17 -42.71 86.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.287 -175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.4 m -101.33 -51.79 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.638 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.2 m-85 -105.9 17.35 23.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -171.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.479 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -57.16 -23.54 47.59 Favored Glycine 0 C--O 1.227 -0.322 0 N-CA-C 115.533 0.973 . . . . 0.0 115.533 -169.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 40.34 -92.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.648 0.779 . . . . 0.0 112.272 -175.112 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -147.36 147.06 29.92 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -58.47 -50.68 72.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.02 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 48.5 t80 -63.32 -39.77 95.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.69 -38.66 85.72 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.397 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -63.77 -32.14 73.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.545 0.212 . . . . 0.0 110.889 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.456 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 29.7 m0 -70.35 -49.43 49.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.97 -35.76 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.658 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -62.89 -34.91 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.181 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.105 0.478 . . . . 0.0 110.364 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.42 HD11 HG23 ' A' ' 40' ' ' ILE . 97.0 mt -75.43 -32.53 60.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.817 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.85 5.38 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 79' ' ' LYS . 32.4 tt0 53.35 54.47 10.13 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.775 0.672 . . . . 0.0 110.547 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 71.8 10.71 6.3 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.212 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 53.94 2.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 76' ' ' GLU . 14.4 ptmm? -64.47 -26.21 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 111.437 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -161.54 -41.43 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.537 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 65.4 12.73 8.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.605 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.5 mt -120.28 -28.34 5.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -97.27 -14.22 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.948 0.404 . . . . 0.0 110.278 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.77 117.39 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.345 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.3 m -48.12 -56.16 8.51 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -173.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.11 70.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -44.94 10.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -174.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -56.15 -42.28 76.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.044 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.62 -48.09 56.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.35 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -65.77 -21.21 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 91' ' ' ARG . 41.5 ttt-85 -92.26 -45.06 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.877 0.37 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.47 -34.28 60.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.545 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.6 tp . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.993 0.425 . . . . 0.0 111.354 -176.507 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 121.647 0.736 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -134.41 146.26 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.174 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG11 ' HA2' ' A' ' 49' ' ' GLY . 24.0 m -111.72 151.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.791 0.329 . . . . 0.0 111.299 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -109.73 118.31 36.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.821 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD13 ' HD3' ' A' ' 44' ' ' ARG . 43.8 mt -81.96 151.95 67.91 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.042 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.61 -0.46 3.75 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.769 2.313 . . . . 0.0 111.566 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -76.27 -22.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.002 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.8 -7.73 61.14 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.518 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -103.3 151.91 22.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 pt -99.12 164.98 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.258 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -134.31 129.62 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.25 0.548 . . . . 0.0 109.969 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -136.79 175.01 10.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.108 -176.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' H ' HG22 ' A' ' 22' ' ' THR . 60.2 mtp180 -74.33 57.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 111.015 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 -38.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.375 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.73 13.37 20.38 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.932 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -90.82 114.55 61.79 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.843 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.543 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 69.1 Cg_exo -46.13 113.03 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.675 2.917 . . . . 0.0 112.73 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 4.8 Cg_exo -75.69 56.81 4.77 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.517 2.811 . . . . 0.0 112.797 -176.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 72.85 -58.89 0.58 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.721 0.809 . . . . 0.0 112.117 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.403 HD22 ' HA ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -76.64 -65.81 0.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.458 -179.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.543 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 3.8 m 60.51 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.769 0.668 . . . . 0.0 111.667 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 34.9 ptt85 -66.85 110.37 3.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.018 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HD3' HH11 ' A' ' 33' ' ' ARG . 28.8 ttt-85 68.67 91.06 0.09 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.437 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.45 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 41.3 m95 -70.47 92.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.607 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 m -83.36 165.63 2.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.01 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.332 0.395 . . . . 0.0 111.119 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 t -59.87 -36.29 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.787 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.806 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -72.33 -47.13 52.1 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 178.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.02 -51.18 70.74 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.313 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.13 -34.72 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.89 76.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 38' ' ' ARG . 24.1 t -65.11 -58.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.658 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.464 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -57.67 -42.06 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -177.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' HD3' HD13 ' A' ' 15' ' ' LEU . 99.6 mtt180 -68.99 -42.71 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.72 0.295 . . . . 0.0 110.7 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 49' ' ' GLY . . . -69.28 -35.59 77.16 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.648 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -85.02 -55.99 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 117.6 0.7 . . . . 0.0 111.4 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' N ' HG23 ' A' ' 46' ' ' VAL . 76.7 mt -62.72 -48.77 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 123.351 0.407 . . . . 0.0 111.88 -172.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -97.28 -9.19 28.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.314 0.578 . . . . 0.0 110.231 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.561 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.44 -75.74 1.15 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.456 -0.878 . . . . 0.0 114.34 -173.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.32 -75.54 0.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -165.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.73 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.82 -179.27 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.759 -166.356 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.1 p -77.5 168.55 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.606 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 45.3 tp -66.73 -35.83 81.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.795 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 58' ' ' GLN . . . -60.36 -40.25 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.662 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 21.0 tp10 -64.95 -46.16 82.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.32 0.581 . . . . 0.0 110.1 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.35 -2.5 25.48 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.216 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.873 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 55.9 mtpt -93.91 -36.71 12.07 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 54' ' ' ALA . 76.5 mt-30 -59.84 -41.46 91.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -100.27 -51.91 3.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.743 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m-85 -107.62 19.12 20.6 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.274 -0.393 . . . . 0.0 111.88 -169.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.873 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -35.86 -34.75 0.08 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 116.643 1.417 . . . . 0.0 116.643 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 2.9 mt 58.94 -149.76 0.45 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 117.336 0.568 . . . . 0.0 110.446 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 m -111.38 148.8 32.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.199 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.56 -51.52 62.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.511 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.86 -39.82 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.317 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.49 -53.99 49.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.531 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 58.5 t80 -64.38 -36.75 85.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.956 0.408 . . . . 0.0 110.129 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.21 -42.47 91.03 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.953 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.7 p -63.19 -37.74 88.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.261 -175.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.464 ' HE3' HG13 ' A' ' 43' ' ' VAL . 34.7 m0 -63.94 -54.89 27.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.118 0.485 . . . . 0.0 110.573 -176.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -66.24 -38.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.137 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.8 m -67.12 -31.69 72.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.628 0.251 . . . . 0.0 111.266 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.61 60.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 109.924 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 96.7 mt -77.04 -23.15 52.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.687 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.509 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 73.36 -43.37 0.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 110.569 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 80' ' ' ASP . 3.3 p-80 -130.03 118.47 21.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.51 -10.74 79.76 Favored Glycine 0 N--CA 1.454 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.56 -70.21 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.486 0.66 . . . . 0.0 110.727 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 83' ' ' LYS . 4.1 m-20 -85.09 60.17 6.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.531 -175.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -23.19 66.12 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.391 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp -87.8 -6.94 57.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.438 0.637 . . . . 0.0 110.197 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 34.6 ttmt -99.98 0.15 40.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 0.0 109.583 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.9 t -82.86 123.43 38.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.635 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 p -50.83 -45.8 59.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.07 84.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.979 0.418 . . . . 0.0 111.843 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 87' ' ' LEU . 3.3 tm? -87.35 -40.09 14.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -58.19 -37.14 74.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.569 175.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.21 -50.04 67.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.553 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -61.15 -44.89 96.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -66.19 -39.0 89.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.217 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -80.68 -33.91 35.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.043 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.234 0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.336 -177.804 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 . . . . . 0 N--CA 1.447 -0.602 0 CA-C-O 121.799 0.809 . . . . 0.0 109.084 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 t -114.7 131.28 56.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.262 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.612 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.9 m -97.69 125.41 50.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -86.9 104.6 16.39 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.65 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 17' ' ' ASP . 66.9 mt -66.05 153.8 91.06 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.739 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.26 41.94 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.254 2.636 . . . . 0.0 111.119 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 15' ' ' LEU . 24.1 t70 -135.45 -43.58 0.69 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.865 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.84 -26.03 4.08 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -80.73 150.46 29.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.404 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -116.46 140.42 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.493 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mmm -124.9 150.63 46.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -157.9 179.33 9.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HA ' HD12 ' A' ' 26' ' ' LEU . 14.5 ttm-85 -65.61 -25.58 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 110.511 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -18.19 63.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.58 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.65 -12.47 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.179 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.562 HD21 ' HA3' ' A' ' 45' ' ' GLY . 85.4 mt -69.88 122.53 86.26 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 51.7 Cg_exo -57.35 118.55 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.72 2.28 . . . . 0.0 111.67 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.13 51.02 2.72 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.034 2.49 . . . . 0.0 112.206 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.12 -56.1 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.761 0.824 . . . . 0.0 111.028 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -104.58 53.89 0.73 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.321 0.582 . . . . 0.0 110.57 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 10.4 t -68.96 165.06 20.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.718 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -92.92 124.43 36.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.485 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.7 mmp_? 61.89 87.11 0.1 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.291 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -69.01 120.85 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.068 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.452 HG23 ' H ' ' A' ' 38' ' ' ARG . 22.4 m -121.22 160.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.84 -46.06 71.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.886 0.374 . . . . 0.0 111.672 -176.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.8 m -68.46 -25.1 64.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.66 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.1 ttm-85 -75.39 -38.04 60.19 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 21.3 mtpp -59.65 -48.03 83.28 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.704 0.764 . . . . 0.0 109.598 175.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.55 HG23 HD21 ' A' ' 74' ' ' LEU . 84.1 mt -61.7 -37.44 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.886 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.48 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -61.91 -58.46 7.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.462 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -61.83 -31.82 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.415 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.21 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.003 0.43 . . . . 0.0 110.296 173.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.562 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -71.83 -27.0 71.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.853 -174.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.645 HG23 HG13 ' A' ' 47' ' ' ILE . 16.2 m -82.1 -63.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 117.775 0.787 . . . . 0.0 110.888 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.645 HG13 HG23 ' A' ' 46' ' ' VAL . 71.8 mt -60.96 -50.4 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.647 0.592 . . . . 0.0 112.025 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -97.09 -8.21 30.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.052 0.453 . . . . 0.0 110.229 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.612 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.98 -75.83 1.17 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.964 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.82 -76.31 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 pp -118.15 -176.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -165.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 170.09 10.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.979 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.797 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.64 76.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -64.79 -48.41 74.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.814 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.36 68.3 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.177 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 16.3 ttpp -85.43 -42.88 14.1 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.623 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.82 -29.54 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.64 0.257 . . . . 0.0 111.102 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -100.06 -56.69 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.484 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 36.7 m-85 -105.54 16.6 25.2 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -173.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.434 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -60.97 -26.88 66.18 Favored Glycine 0 C--O 1.228 -0.269 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -170.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.518 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 49.68 -90.64 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.453 0.701 . . . . 0.0 110.966 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 13.5 t -137.42 144.22 42.27 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 174.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.65 -42.45 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.168 0.509 . . . . 0.0 109.795 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.18 -46.48 86.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.858 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -56.96 -54.89 41.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.65 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -63.17 -41.94 99.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.162 -174.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -70.49 -20.56 62.84 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.918 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -71.87 -30.14 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.39 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.448 ' HE3' HG13 ' A' ' 43' ' ' VAL . 24.9 m0 -69.09 -45.67 69.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.1 t -66.2 -39.56 84.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.664 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -61.19 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.36 -28.92 67.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.377 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD21 HG23 ' A' ' 40' ' ' ILE . 96.1 mt -87.37 -7.21 58.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.418 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB2' HG13 ' A' ' 84' ' ' VAL . . . -99.87 -17.15 17.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.041 174.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 72.83 -49.75 0.7 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.23 0.956 . . . . 0.0 111.22 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -127.24 111.0 13.45 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.125 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.91 -103.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp 70.83 -60.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.503 0.721 . . . . 0.0 111.886 172.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -85.24 -37.28 20.24 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.3 -10.29 1.38 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.16 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -100.16 -37.58 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 110.194 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -86.93 20.52 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.15 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' A' ' 75' ' ' ALA . 92.7 t -60.94 120.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.7 m -48.04 -53.13 17.33 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.07 -19.52 59.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -91.14 -42.67 10.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -175.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.07 -37.97 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.214 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -73.09 -36.47 66.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.705 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -61.03 -45.0 96.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 87' ' ' LEU . 9.6 mmm180 -58.68 -53.48 57.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.032 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 -177.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 . . . . . 0 C--O 1.232 0.138 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -71.81 109.93 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -72.76 129.75 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.406 0.622 . . . . 0.0 111.398 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -98.42 108.26 20.92 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.124 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.95 154.62 88.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.05 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -62.04 -5.9 7.07 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.821 2.347 . . . . 0.0 112.023 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -44.74 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.65 175.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.9 -24.03 5.2 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.055 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 t -80.16 137.15 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.6 pp -98.76 144.04 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 177.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.6 mtp -124.54 133.4 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -111.22 -179.34 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.519 174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.723 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -81.87 8.26 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.765 0.793 . . . . 0.0 109.446 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.76 -27.64 17.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.786 171.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.25 -36.67 46.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.849 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.12 124.48 86.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.644 -179.634 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.592 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 82.4 Cg_exo -50.15 132.85 34.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.14 2.56 . . . . 0.0 113.198 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 76.4 Cg_exo -52.3 -53.95 6.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.092 2.528 . . . . 0.0 112.469 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -48.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.821 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.597 ' O ' HG22 ' A' ' 31' ' ' THR . 28.7 p-10 -128.89 0.68 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.835 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 30' ' ' ASN . 2.7 t 60.21 -53.96 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.2 1.4 . . . . 0.0 112.554 -174.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER 175.88 -61.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 33' ' ' ARG . 42.7 ttm180 -139.75 2.77 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.468 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.551 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 76.5 m95 64.83 95.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.208 -177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m -88.31 145.85 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 170.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.99 -48.03 67.77 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.324 0.39 . . . . 0.0 111.752 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -57.68 -33.28 68.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.861 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.1 ttt180 -85.23 -24.35 27.87 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.924 -176.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' ' 34' ' ' TRP . 63.0 mttm -60.45 -49.1 78.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.599 0.714 . . . . 0.0 109.249 170.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.52 -34.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.666 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.28 -32.37 73.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' ARG . 23.6 t -64.86 -54.85 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.571 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG12 ' CZ ' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -59.01 -38.3 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.392 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -69.78 -42.63 73.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.34 97.43 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.241 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.634 HG23 HG13 ' A' ' 47' ' ' ILE . 17.5 m -82.92 -62.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.332 0.566 . . . . 0.0 111.66 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.634 HG13 HG23 ' A' ' 46' ' ' VAL . 69.5 mt -62.93 -35.67 72.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 111.99 -170.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.449 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 40.7 t80 -97.45 -26.73 14.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.329 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -70.93 0.93 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.508 -172.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 mp -105.56 -75.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -166.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 55' ' ' GLU . 29.2 pt -121.52 164.17 18.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -166.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 p -80.82 -178.82 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.513 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.636 ' O ' ' HB2' ' A' ' 57' ' ' LYS . 51.8 tp -75.41 -7.94 55.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.013 0.435 . . . . 0.0 110.304 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 -60.82 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.873 0.368 . . . . 0.0 110.181 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.481 ' HB3' HD12 ' A' ' 51' ' ' ILE . 9.4 tp10 -66.96 -38.36 85.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.275 0.56 . . . . 0.0 109.973 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -68.5 -13.07 62.07 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.512 178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 3.4 ttmp? -87.97 -43.3 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.247 0.546 . . . . 0.0 109.643 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.69 -38.51 90.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.94 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 -50.62 3.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.06 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.685 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.2 m-85 -108.24 18.06 21.51 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -171.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -44.7 -38.75 5.71 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -168.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 51.44 -99.84 0.08 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.573 0.702 . . . . 0.0 109.469 -173.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 57.9 m -156.31 146.03 20.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 169.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.21 -36.31 65.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 117.867 0.303 . . . . 0.0 110.785 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.47 -42.67 95.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.772 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.3 -51.48 69.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.054 0.454 . . . . 0.0 109.853 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CZ ' HG12 ' A' ' 43' ' ' VAL . 53.0 t80 -64.16 -46.53 83.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.318 -174.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -70.42 -22.87 62.68 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.209 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.2 m -65.91 -30.47 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.711 0.291 . . . . 0.0 110.495 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.454 ' HE3' HG13 ' A' ' 43' ' ' VAL . 25.3 m0 -68.75 -45.51 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.256 0.551 . . . . 0.0 109.572 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.558 HG11 HD23 ' A' ' 87' ' ' LEU . 45.4 t -68.21 -42.05 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.554 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 m -63.81 -29.37 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.579 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.32 -32.23 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.317 0.58 . . . . 0.0 109.891 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.88 -29.39 55.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.548 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -74.23 -28.83 61.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.559 177.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 7.7 tp10 69.75 -68.25 0.2 Allowed 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.207 0.942 . . . . 0.0 110.653 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -104.52 129.39 52.57 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.45 69.91 2.92 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -141.65 -80.6 0.24 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.85 0.357 . . . . 0.0 110.3 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.41 65.54 7.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.645 0.736 . . . . 0.0 110.719 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -13.65 62.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.481 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 77.4 mt -79.25 -6.13 55.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.579 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -102.0 -10.76 19.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.273 0.559 . . . . 0.0 110.085 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.3 114.26 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.832 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -49.3 -49.12 45.21 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.699 0.624 . . . . 0.0 112.547 -175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.49 -30.73 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.6 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.558 HD23 HG11 ' A' ' 71' ' ' VAL . 1.5 tm? -83.02 -45.03 14.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' A' ' 82' ' ' LEU . 87.3 tttt -62.59 -34.15 76.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.522 177.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' A' ' 48' ' ' TYR . 57.0 tttm -58.1 -58.56 7.88 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.675 176.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.09 -40.8 95.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.754 0.658 . . . . 0.0 111.211 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -67.3 -40.08 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.953 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.6 -15.0 53.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.483 0.658 . . . . 0.0 110.242 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 tp . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 121.245 0.545 . . . . 0.0 110.487 -179.687 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.515 0.674 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 21' ' ' MET . 1.1 m -69.86 104.25 2.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.699 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.58 123.99 42.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.496 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.2 m -76.05 107.96 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.611 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 44' ' ' ARG . 43.1 mt -76.86 141.29 68.01 Favored Pre-proline 0 N--CA 1.445 -0.713 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 34.5 Cg_exo -61.12 -9.0 11.18 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.9 2.4 . . . . 0.0 112.549 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.24 -17.37 59.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.138 0.494 . . . . 0.0 109.884 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.47 46.9 2.07 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.296 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 m -152.17 145.54 24.77 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -107.02 117.37 52.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.193 0.521 . . . . 0.0 110.332 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.503 ' O ' ' HA ' ' A' ' 12' ' ' SER . 94.6 mmm -93.92 134.84 35.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 p -115.55 173.71 6.39 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.239 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 23' ' ' ARG . 43.0 ttp85 -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.155 0.503 . . . . 0.0 110.207 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.18 -31.5 30.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.54 -30.7 64.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.728 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD21 ' HA3' ' A' ' 45' ' ' GLY . 93.9 mt -56.62 128.48 75.09 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.309 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.673 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.5 Cg_exo -48.7 110.66 0.36 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.2 2.6 . . . . 0.0 111.538 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.28 -47.99 24.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.06 2.507 . . . . 0.0 112.947 -173.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -178.7 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.5 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.618 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.673 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.6 m 68.82 137.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.952 0.782 . . . . 0.0 111.036 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -87.78 -32.28 19.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.39 . . . . 0.0 110.992 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -138.77 112.26 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.585 0.707 . . . . 0.0 111.08 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.554 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 86.9 m95 -95.11 88.59 5.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.354 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 38' ' ' ARG . 33.7 m -94.23 171.52 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.893 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.19 95.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.834 0.349 . . . . 0.0 111.056 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 m -66.73 -22.91 66.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.952 0.405 . . . . 0.0 110.775 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.91 -42.13 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.052 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' A' ' 34' ' ' TRP . 1.5 mptm? -52.64 -58.86 5.46 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.885 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.783 HD12 HD21 ' A' ' 74' ' ' LEU . 30.1 mm -58.77 -37.57 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.119 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.84 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 38' ' ' ARG . 40.2 t -70.67 -53.26 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -60.85 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 -176.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.561 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.8 mtt-85 -69.67 -33.17 72.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.665 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.521 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -65.91 -42.36 94.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.648 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.2 m -85.98 -50.54 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 122.505 -0.409 . . . . 0.0 111.471 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.551 HD12 HG12 ' A' ' 43' ' ' VAL . 25.1 mt -72.54 -48.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -173.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 66.3 t80 -88.4 -16.04 33.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.317 0.579 . . . . 0.0 109.837 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.27 -74.65 1.06 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.446 -0.797 . . . . 0.0 114.434 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.545 ' HB3' HG23 ' A' ' 51' ' ' ILE . 9.2 mp -105.95 -75.37 0.63 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -164.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -127.77 -177.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -162.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.791 HG23 ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -76.85 159.11 30.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.468 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.08 -28.27 68.96 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.136 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.23 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.302 0.572 . . . . 0.0 110.533 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.791 ' HG2' HG23 ' A' ' 52' ' ' THR . 26.2 mm-40 -74.88 -36.14 62.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.598 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -73.85 -6.42 47.0 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.123 177.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 20.7 mtpp -87.51 -45.27 10.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.98 0.419 . . . . 0.0 109.987 173.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.402 HE21 ' HA ' ' A' ' 55' ' ' GLU . 43.3 mt-30 -60.8 -37.61 82.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.302 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 m -100.22 -55.64 2.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.512 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.5 m-85 -106.58 16.2 24.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.154 -171.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -56.26 -37.44 73.14 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-O 119.312 -0.715 . . . . 0.0 114.694 -167.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 55.89 -95.25 0.05 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -173.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.451 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.1 p -142.34 146.01 34.53 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 166.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -48.28 -52.23 22.24 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 69' ' ' SER . 7.2 tp10 -64.98 -34.04 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.428 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.05 -53.72 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.7 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.06 -44.52 92.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.0 110.063 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 3.9 t -68.04 -30.17 69.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -71.29 -45.9 62.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.81 176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 43' ' ' VAL . 11.3 t -60.54 -45.77 96.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 p -68.15 -26.8 65.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.185 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.31 60.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.229 0.537 . . . . 0.0 109.837 176.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.783 HD21 HD12 ' A' ' 40' ' ' ILE . 70.7 mt -77.54 -21.19 52.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.613 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -44.16 74.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.129 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 69.46 -50.86 0.61 Allowed 'General case' 0 N--CA 1.469 0.513 0 O-C-N 124.253 0.971 . . . . 0.0 111.357 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -84.25 -48.8 9.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.205 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.96 -54.85 3.48 Favored Glycine 0 CA--C 1.52 0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.812 174.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.98 -38.77 83.52 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.609 0.364 . . . . 0.0 111.709 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 82' ' ' LEU . 2.3 m-20 -59.27 -64.93 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.45 -27.28 0.19 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.343 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 80' ' ' ASP . 3.9 pp -104.37 -7.77 19.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -101.03 -9.3 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.61 112.76 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.26 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.4 m -53.24 -36.87 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.79 84.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.053 0.454 . . . . 0.0 111.366 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -89.53 -38.55 13.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.13 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.01 -37.18 81.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.164 176.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -72.82 -42.99 63.24 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.598 ' HE1' ' HA ' ' A' ' 52' ' ' THR . 79.5 t80 -57.8 -54.03 51.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.636 0.585 . . . . 0.0 110.895 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -66.51 -31.97 73.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.034 0.445 . . . . 0.0 110.555 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 92' ' ' GLN . 4.9 tt0 -68.49 -47.18 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 174.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.216 -173.782 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.86 0.362 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -93.72 139.8 30.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.861 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.86 145.46 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 0.0 110.715 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -101.95 118.7 37.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.966 0.412 . . . . 0.0 110.469 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' HD3' ' A' ' 44' ' ' ARG . 60.4 mt -74.3 152.86 88.11 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.744 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.54 -16.79 31.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.503 2.135 . . . . 0.0 111.75 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.12 -17.69 61.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.743 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.26 3.54 55.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.249 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.1 t -100.11 142.49 31.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 pt -100.17 129.21 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.381 . . . . 0.0 110.179 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.1 mmm -115.53 138.79 50.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.308 0.575 . . . . 0.0 111.49 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.458 ' H ' ' HB2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -133.47 169.74 16.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.063 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -64.56 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 118.136 0.425 . . . . 0.0 111.165 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.2 -3.66 52.98 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.909 0.385 . . . . 0.0 111.41 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' A' ' 22' ' ' THR . 28.2 m-20 -98.46 -1.6 40.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.285 0.564 . . . . 0.0 109.606 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD21 ' HA3' ' A' ' 45' ' ' GLY . 99.1 mt -92.73 139.4 23.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.718 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.542 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.2 Cg_exo -46.67 111.81 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 123.102 2.535 . . . . 0.0 112.299 173.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 3.0 Cg_exo -75.49 62.53 6.27 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 123.302 2.668 . . . . 0.0 113.028 -173.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.16 -59.32 0.48 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.819 0.848 . . . . 0.0 112.07 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -74.31 -67.34 0.63 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.175 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 7.8 m 71.18 138.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.763 0.664 . . . . 0.0 111.135 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -96.68 90.55 5.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.918 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 74.27 106.44 0.07 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -80.68 90.48 5.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.191 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 38' ' ' ARG . 31.8 m -81.71 168.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.71 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.658 0.265 . . . . 0.0 111.219 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -60.82 -31.51 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.251 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.93 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -71.52 -46.29 60.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.797 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 86.8 mttt -64.67 -51.02 64.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.13 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.401 HG22 ' HD2' ' A' ' 44' ' ' ARG . 61.2 mt -59.26 -33.06 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.355 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 38' ' ' ARG . 7.7 t -67.35 -53.62 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.05 -43.34 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 -178.598 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HD3' HD13 ' A' ' 15' ' ' LEU . 28.5 mtt85 -62.72 -43.71 98.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 176.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.613 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -68.98 -48.63 46.7 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.698 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.1 m -73.35 -49.11 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.402 0.601 . . . . 0.0 111.497 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.603 HG23 ' CD1' ' A' ' 90' ' ' TYR . 40.8 mt -62.25 -46.01 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 123.532 0.52 . . . . 0.0 111.967 -174.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.79 -32.76 13.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.44 -55.93 0.84 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.243 0.857 . . . . 0.0 115.243 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.87 ' HG ' HG13 ' A' ' 51' ' ' ILE . 34.2 tp -94.39 -77.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -159.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.87 HG13 ' HG ' ' A' ' 50' ' ' LEU . 1.8 pp -151.3 179.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.351 0.596 . . . . 0.0 112.508 -169.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.9 p -75.01 165.86 24.59 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.047 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.15 -19.88 65.97 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.804 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.27 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.529 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HB3' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -69.39 -50.52 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.621 -179.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.32 75.06 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.953 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.44 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 34.5 ttpt -68.03 -43.97 77.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.406 0.548 . . . . 0.0 111.099 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.71 -35.22 79.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.768 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.0 m -100.09 -55.99 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.862 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 19.9 m-85 -105.58 16.49 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -173.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.31 -17.77 64.4 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-O 119.417 -0.657 . . . . 0.0 114.458 -169.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 53.23 -95.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.16 -179.351 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.491 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 23.9 t -151.41 151.44 31.7 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 172.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.722 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 10.4 t70 -48.49 -49.7 34.74 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.469 0.481 . . . . 0.0 110.303 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 6.7 mt-10 -50.63 -44.52 57.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.012 -177.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.7 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.73 -36.03 73.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.542 . . . . 0.0 110.737 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.722 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.7 t-20 -56.59 -44.65 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.568 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -65.08 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.528 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.514 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 29.8 m0 -62.35 -51.41 67.72 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 109.894 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 t -69.28 -35.95 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.751 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -62.74 -41.53 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.566 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.16 -27.23 61.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.5 mt -83.16 -26.75 30.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.874 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -77.1 -42.79 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 5.0 mm-40 71.87 -45.96 0.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.98 0.8 . . . . 0.0 112.275 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.573 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 74.7 m-70 -94.03 -77.82 0.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.739 0.304 . . . . 0.0 110.923 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.54 -27.69 19.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.527 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -68.31 -29.21 67.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 77' ' ' HIS . 29.5 p-10 -97.78 36.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.536 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.38 -4.18 10.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.107 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.0 tp -86.61 -15.27 40.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.581 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 35.8 ttpt -105.7 -91.37 0.4 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.646 176.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 31.8 t 43.11 100.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.836 0.855 . . . . 0.0 112.155 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.5 p -48.58 -44.28 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.52 -26.28 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.2 tm? -90.24 -42.77 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -175.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 86.2 tttt -60.24 -40.52 90.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' ' 89' ' ' LYS . 20.7 ttmm -66.71 -44.04 82.69 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.355 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.603 ' CD1' HG23 ' A' ' 47' ' ' ILE . 21.9 t80 -56.61 -50.41 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.78 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -62.88 -49.09 76.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -60.04 -40.59 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.503 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 179.712 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.517 0.675 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -107.24 141.74 38.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.362 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -87.57 140.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.279 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -97.09 111.98 23.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.013 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' HE ' ' A' ' 44' ' ' ARG . 80.3 mt -80.24 159.14 70.96 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 29.6 Cg_endo -63.19 -8.16 13.68 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.934 2.423 . . . . 0.0 113.158 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.27 -16.65 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.179 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.2 -8.65 59.13 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 p -87.49 143.66 27.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.7 pp -106.03 140.82 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.412 ' HB3' ' HE2' ' A' ' 21' ' ' MET . 86.4 mtp -135.6 137.32 41.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.083 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -97.88 163.56 12.74 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -73.34 54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.888 0.851 . . . . 0.0 110.332 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.94 -32.81 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.744 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.39 -10.09 59.38 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.487 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.07 145.12 97.53 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.055 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.594 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 24.6 Cg_exo -62.31 115.21 2.72 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.488 2.125 . . . . 0.0 111.475 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 6.6 Cg_exo -73.69 73.55 3.5 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.082 2.521 . . . . 0.0 112.276 -176.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.38 -40.15 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.837 0.855 . . . . 0.0 112.086 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -152.45 97.79 2.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.328 0.585 . . . . 0.0 109.885 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 12.6 t -76.95 14.37 0.87 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.062 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 72.36 -56.51 0.65 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.95 0.9 . . . . 0.0 111.303 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 33' ' ' ARG . 63.4 mtt85 -120.8 105.49 10.78 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.428 0.632 . . . . 0.0 110.482 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.431 ' CH2' ' HB2' ' A' ' 27' ' ' PRO . 93.5 m95 -90.12 91.73 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.042 -175.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 38' ' ' ARG . 28.2 m -80.37 157.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.057 175.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -53.75 -47.16 70.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.3 0.375 . . . . 0.0 111.573 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -58.86 -37.09 75.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HG2' ' HG3' ' A' ' 27' ' ' PRO . 17.0 ttt180 -81.5 -25.82 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.1 mttt -64.66 -51.05 64.58 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.58 0.705 . . . . 0.0 109.289 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.603 HG22 ' HD2' ' A' ' 44' ' ' ARG . 57.4 mt -56.67 -37.74 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.831 175.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . . . -59.71 -33.84 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.78 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 38' ' ' ARG . 6.7 t -67.72 -50.77 57.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.986 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.464 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -64.47 -46.84 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.164 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.603 ' HD2' HG22 ' A' ' 40' ' ' ILE . 2.2 ptm180 -69.21 -32.36 71.57 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.546 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.67 -47.08 63.72 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.31 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.624 HG23 HG13 ' A' ' 47' ' ' ILE . 27.0 m -75.95 -52.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.692 -177.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.624 HG13 HG23 ' A' ' 46' ' ' VAL . 73.9 mt -71.22 -41.4 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -170.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 54.2 t80 -79.98 -37.16 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.055 0.455 . . . . 0.0 110.692 -177.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.32 -61.9 0.73 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.293 -0.956 . . . . 0.0 115.204 -171.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.67 -75.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -159.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' CG ' ' A' ' 55' ' ' GLU . 17.3 pt -124.38 -176.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -161.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.8 p -97.21 178.89 5.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.205 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 41.9 tp -73.21 -20.44 60.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.139 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -59.95 -51.56 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.418 ' CG ' HD12 ' A' ' 51' ' ' ILE . 10.9 tp10 -70.53 -39.12 74.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.931 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -62.3 -19.61 63.47 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.958 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 67.7 mttm -81.99 -45.08 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.146 0.43 . . . . 0.0 110.063 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 65.7 mm-40 -60.22 -40.63 90.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.249 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.2 m -100.96 -49.77 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.013 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 56.4 m-85 -105.79 18.22 22.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.338 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.81 8.76 1.63 Allowed Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.167 -1.352 . . . . 0.0 115.707 -171.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -6.44 -80.32 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.84 1.256 . . . . 0.0 113.763 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 12.6 t -129.98 131.57 45.96 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 168.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.16 -44.29 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.352 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -75.2 -31.06 60.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.785 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 22.6 tp10 -57.06 -50.75 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.459 ' CE1' HD13 ' A' ' 53' ' ' LEU . 25.6 t80 -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.097 0.475 . . . . 0.0 109.772 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.07 -40.52 96.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.882 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 p -68.1 -22.21 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.484 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.509 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.6 m0 -66.93 -53.53 30.95 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.598 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.25 -38.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.33 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.079 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 -24.68 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.665 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 84.7 mt -71.75 -27.16 62.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.393 0.616 . . . . 0.0 109.654 177.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.56 -63.8 1.22 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.5 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 58.76 -81.41 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.296 1.038 . . . . 0.0 112.121 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -130.8 15.96 5.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.012 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.08 73.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.137 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.9 tttp 72.66 -34.52 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 111.741 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.73 69.1 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.919 0.866 . . . . 0.0 109.448 174.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -95.73 10.64 36.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.903 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.5 mt -95.13 -32.15 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.746 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -112.43 20.64 16.49 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 111.078 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 40.3 t -66.72 122.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.4 p -53.85 -65.02 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.556 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.58 -25.17 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.995 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -82.57 -50.76 8.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -66.28 -31.47 72.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.434 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -66.95 -45.41 77.88 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.829 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.408 ' OH ' ' HB3' ' A' ' 53' ' ' LEU . 34.8 t80 -64.25 -45.82 86.47 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.42 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -62.9 -31.7 72.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -79.73 -38.47 33.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.651 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.63 -177.176 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -114.85 155.09 27.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -172.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 m -95.28 133.28 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.181 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -92.77 100.17 12.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.181 0.515 . . . . 0.0 109.696 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.571 HD13 ' HD3' ' A' ' 44' ' ' ARG . 87.5 mt -79.49 158.16 74.06 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.269 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.65 -3.88 3.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.321 2.68 . . . . 0.0 113.572 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -89.03 -2.3 58.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.038 0.447 . . . . 0.0 110.595 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.23 27.49 48.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.062 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -119.41 134.5 55.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.557 0.218 . . . . 0.0 110.585 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.9 103.12 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.479 0.657 . . . . 0.0 109.913 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.1 mtp -104.01 131.31 51.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.589 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 23' ' ' ARG . 2.0 m -105.5 175.09 5.61 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' H ' HG22 ' A' ' 22' ' ' THR . 38.2 ttm-85 -58.5 -17.56 22.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.615 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.32 -3.22 55.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.711 0.291 . . . . 0.0 111.654 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.87 -0.05 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.512 . . . . 0.0 110.541 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -98.52 131.52 25.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.293 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.612 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.5 Cg_exo -61.74 109.44 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.24 1.96 . . . . 0.0 110.704 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.5 -37.84 96.54 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.82 2.346 . . . . 0.0 112.617 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -174.19 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -135.75 89.22 2.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.693 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 15.3 t -69.97 161.91 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -38.69 91.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.33 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -145.01 110.78 5.39 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -74.99 87.68 2.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 35.6 m -94.09 172.08 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.385 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.71 73.65 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.349 0.405 . . . . 0.0 111.404 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 m -62.52 -36.0 81.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.885 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -66.51 -47.41 73.04 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.537 177.171 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 27.1 mtpp -55.87 -56.79 16.39 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.433 0.458 . . . . 0.0 111.0 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.15 -39.06 77.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.948 0.404 . . . . 0.0 111.299 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.02 73.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.382 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 38' ' ' ARG . 32.2 t -72.9 -42.08 60.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.556 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.509 HG12 HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 109.991 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HD3' HD13 ' A' ' 15' ' ' LEU . 4.5 ppt_? -79.49 -5.71 55.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.611 -176.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.02 -45.99 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.691 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 42' ' ' VAL . 28.8 m -84.46 -43.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.659 177.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.509 HD12 HG12 ' A' ' 43' ' ' VAL . 21.4 mt -64.98 -44.43 96.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.211 -175.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -97.41 -9.42 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.989 0.423 . . . . 0.0 110.24 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.54 -75.04 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.974 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -105.55 -75.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -166.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pp -122.05 -178.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -167.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 p -80.29 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.733 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.9 tp -69.36 -13.67 62.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.88 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -42.15 96.28 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -60.91 -18.72 58.26 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.949 176.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.701 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 18.1 ttmt -96.55 -35.19 11.18 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.859 -0.737 . . . . 0.0 110.303 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.73 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.669 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 m -98.92 -54.28 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.507 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.569 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 32.6 m-85 -104.51 16.12 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.781 -0.191 . . . . 0.0 110.596 -170.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.701 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -52.29 -38.19 49.08 Favored Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 -170.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 57.44 -82.48 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.592 0.71 . . . . 0.0 109.769 -173.368 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 35.2 t -158.38 146.75 18.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 172.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.742 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 14.3 t70 -56.46 -42.15 77.72 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.11 -40.19 95.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.77 -62.47 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.561 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -62.07 -35.59 79.1 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 110.29 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.742 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.6 t-20 -60.46 -41.11 93.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.42 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -66.64 -27.39 67.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.952 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CZ3' ' HB ' ' A' ' 42' ' ' VAL . 37.0 m0 -64.3 -47.15 80.58 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 109.55 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.44 HG12 HG11 ' A' ' 84' ' ' VAL . 21.8 t -67.4 -37.16 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 t -63.27 -31.47 72.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.661 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.93 -29.67 58.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 110.604 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.21 -5.26 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.348 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 84' ' ' VAL . . . -63.25 -51.75 64.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 176.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 63.47 18.69 11.23 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.263 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 30.2 m170 -120.17 -67.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.949 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 80' ' ' ASP . . . 90.38 123.25 2.59 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.195 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 79' ' ' LYS . 71.4 mmtt 68.15 -38.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.514 0.726 . . . . 0.0 111.566 -172.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.58 ' HB3' ' HB3' ' A' ' 77' ' ' HIS . 15.0 t70 -84.22 77.83 9.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.73 16.11 7.25 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.457 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.74 -36.13 11.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.622 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 49.9 mttm -104.21 25.22 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.763 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 75' ' ' ALA . 86.5 t -58.02 128.33 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.62 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 35.2 p -48.52 -71.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.12 -23.25 66.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -49.97 10.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -69.5 -29.2 66.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 85' ' ' THR . 65.8 mttm -62.73 -52.73 62.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 174.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -64.05 -42.56 97.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.538 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -70.3 -40.38 74.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.262 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -74.74 -33.03 62.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.86 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 -179.038 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 121.346 0.593 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -114.0 118.33 33.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.603 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG11 ' HA2' ' A' ' 49' ' ' GLY . 26.3 m -107.43 147.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.14 0.495 . . . . 0.0 111.475 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -101.33 112.95 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.089 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.48 155.89 73.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.338 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.75 -6.02 4.13 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.379 2.719 . . . . 0.0 114.417 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.82 -12.51 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.064 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.13 10.25 61.26 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -98.98 147.17 25.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.391 -0.404 . . . . 0.0 110.525 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 pt -101.97 129.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.939 0.399 . . . . 0.0 110.277 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.3 mmm -126.68 162.09 26.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.255 0.55 . . . . 0.0 110.864 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -163.91 178.4 7.8 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.002 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 26' ' ' LEU . 15.0 tpt180 -67.36 -18.96 65.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 111.144 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.4 65.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.489 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -90.8 -14.43 31.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.476 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 23' ' ' ARG . 1.1 tm? -59.69 121.69 59.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 173.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.581 ' HG2' HG22 ' A' ' 42' ' ' VAL . 4.8 Cg_exo -33.38 109.48 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 124.276 3.317 . . . . 0.0 114.661 -173.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 13.5 Cg_exo -73.29 58.35 3.62 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 124.226 3.284 . . . . 0.0 113.018 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.39 -71.65 0.11 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.017 0.527 . . . . 0.0 111.514 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.42 -49.32 50.06 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.4 m 63.61 99.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 173.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 32' ' ' ARG . 3.8 ttm180 -69.04 110.61 4.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 30.7 mmt180 71.14 101.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.954 0.784 . . . . 0.0 112.485 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.86 102.09 12.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.619 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' ARG . 30.9 m -98.8 163.41 2.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.139 176.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.94 73.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -60.04 -37.21 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.0 mtt180 -77.13 -28.13 54.16 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.618 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.22 -54.61 37.59 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.78 0.8 . . . . 0.0 108.914 170.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG23 HD21 ' A' ' 74' ' ' LEU . 49.0 mt -63.01 -35.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.669 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -65.78 -33.78 76.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.928 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 38' ' ' ARG . 30.2 t -70.32 -55.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -58.68 -43.42 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.791 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' NE ' HG22 ' A' ' 40' ' ' ILE . 72.3 mtm180 -73.58 -35.03 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.802 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.34 -31.64 77.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.203 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 42' ' ' VAL . 26.9 m -91.84 -54.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.268 -0.548 . . . . 0.0 111.583 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.442 HG13 HG23 ' A' ' 46' ' ' VAL . 82.3 mt -63.4 -45.06 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 111.795 -174.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -96.25 -16.16 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.344 0.592 . . . . 0.0 110.167 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.577 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.49 -73.57 1.02 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.468 -0.872 . . . . 0.0 114.59 -172.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.7 mt -101.63 -76.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -163.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.37 174.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.994 0.426 . . . . 0.0 111.97 -168.715 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -70.82 165.27 23.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.056 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 51.2 tp -64.54 -19.87 65.88 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.79 72.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.598 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB3' HG13 ' A' ' 51' ' ' ILE . 34.8 tt0 -81.85 -33.98 30.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.091 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -65.63 -20.83 66.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 177.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -82.12 -45.36 15.29 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -60.85 -44.23 97.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.1 m -95.24 -52.57 4.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.447 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 28.0 m-85 -105.36 15.79 26.67 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -171.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.449 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -71.61 -16.95 76.16 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.343 -174.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 34.6 -100.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.862 0.865 . . . . 0.0 112.326 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 42.9 t -110.86 130.11 55.67 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.1 -43.26 77.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 110.058 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -64.45 -34.07 77.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.723 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 31.4 tt0 -66.7 -51.73 52.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.684 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.51 -38.45 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.066 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.0 -42.85 94.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -63.9 -25.53 68.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.445 -175.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.455 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 50.3 m0 -70.57 -45.59 65.12 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 109.968 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.51 -41.22 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.819 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.3 p -69.21 -27.43 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.751 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.73 61.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.409 0.624 . . . . 0.0 109.955 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD21 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -78.73 -39.98 34.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.121 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.81 69.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.787 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 71.19 -52.92 0.68 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.657 0.783 . . . . 0.0 110.543 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -86.76 93.96 9.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.844 172.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.67 62.88 2.74 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.173 -0.537 . . . . 0.0 111.961 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -163.84 -54.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 109.841 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.07 -73.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.973 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . 60.4 19.02 8.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.686 176.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -88.0 -46.03 9.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.087 0.47 . . . . 0.0 110.201 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.77 5.94 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.886 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.0 t -72.78 111.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.411 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -47.86 -51.88 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.865 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.7 tm? -88.6 -46.88 8.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -171.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -61.93 -38.33 88.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.245 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.55 -43.14 70.13 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -60.13 -46.66 88.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.005 0.431 . . . . 0.0 110.155 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.0 -45.56 73.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.494 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.4 -42.5 98.82 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.172 0.511 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.829 179.113 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 121.238 0.542 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -69.2 107.21 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.675 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HA2' ' A' ' 49' ' ' GLY . 18.1 m -79.62 136.74 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.761 -170.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -96.23 104.94 16.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.557 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.883 HD12 ' HB2' ' A' ' 19' ' ' SER . 57.1 mt -61.73 133.69 93.67 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.507 177.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 36.5 Cg_exo -59.36 -10.48 10.96 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.05 2.5 . . . . 0.0 112.07 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.73 -22.52 40.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.42 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.3 55.4 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.324 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.883 ' HB2' HD12 ' A' ' 15' ' ' LEU . 11.9 m -152.47 149.94 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.978 0.418 . . . . 0.0 110.188 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.06 119.64 59.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.927 -176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.0 mmm -120.26 140.6 50.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.995 0.426 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 24' ' ' ALA . 10.3 t -164.19 -178.37 5.5 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.478 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.0 -17.58 64.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.705 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.434 ' H ' HG23 ' A' ' 22' ' ' THR . . . -88.04 -14.14 39.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 111.415 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -106.24 -21.03 13.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.143 0.496 . . . . 0.0 110.46 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.586 HD21 ' HA3' ' A' ' 45' ' ' GLY . 84.9 mt -74.96 128.28 85.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.913 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.558 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 86.1 Cg_exo -52.53 117.71 3.94 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 111.187 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 27' ' ' PRO . 9.5 Cg_endo -52.26 -40.53 69.63 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.636 2.891 . . . . 0.0 113.457 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.47 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.728 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.475 ' HA ' ' HZ2' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -153.95 93.92 1.7 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.932 175.216 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.743 HG21 ' HD3' ' A' ' 38' ' ' ARG . 15.4 t -69.83 172.55 7.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.562 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -89.48 108.18 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 69.97 94.12 0.08 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.791 -175.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.475 ' HZ2' ' HA ' ' A' ' 30' ' ' ASN . 82.2 m95 -73.49 80.27 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.646 176.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 38' ' ' ARG . 27.1 m -74.58 159.96 5.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.7 -44.8 81.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 0.0 111.569 -174.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -65.69 -32.0 73.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.743 ' HD3' HG21 ' A' ' 31' ' ' THR . 8.2 ttt180 -73.87 -32.8 63.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.129 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 93.8 mttt -66.74 -46.29 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 109.717 174.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 74' ' ' LEU . 85.7 mt -58.58 -36.97 62.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.641 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.13 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.69 -53.71 38.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.529 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -58.45 -43.39 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.547 ' HE ' HD13 ' A' ' 15' ' ' LEU . 17.6 mtp180 -62.81 -43.64 98.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.792 0.33 . . . . 0.0 110.459 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.586 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -69.63 -37.96 77.71 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.8 -0.637 . . . . 0.0 113.411 -177.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' VAL . 26.8 m -78.45 -58.03 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 117.524 0.662 . . . . 0.0 111.174 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.487 ' N ' HG23 ' A' ' 46' ' ' VAL . 71.9 mt -59.62 -52.29 62.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 O-C-N 123.602 0.564 . . . . 0.0 112.151 -171.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CD2' HD23 ' A' ' 15' ' ' LEU . 79.2 t80 -92.9 -18.6 22.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.314 0.578 . . . . 0.0 110.725 -175.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.52 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -92.93 -74.2 1.26 Allowed Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.969 -172.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.99 -75.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -165.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.753 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -114.72 167.88 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.152 0.501 . . . . 0.0 111.793 -167.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.0 p -76.78 169.84 17.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.262 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.12 -23.69 66.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.471 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.17 13.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.006 0.431 . . . . 0.0 110.732 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.58 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -61.37 -40.95 96.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.505 0.669 . . . . 0.0 109.65 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -11.66 60.5 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.154 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.446 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 29.3 ttpp -93.56 -44.76 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.83 0.348 . . . . 0.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.49 -27.07 62.97 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.797 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.7 m -100.26 -56.17 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.764 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 24.7 m-85 -105.63 16.39 25.45 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 122.3 -0.25 . . . . 0.0 111.435 -174.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -60.93 -24.59 62.91 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.475 -171.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 54.6 -91.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.21 0.529 . . . . 0.0 110.362 -177.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 50.1 m -148.31 146.09 28.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -54.77 -42.5 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.493 0.187 . . . . 0.0 111.476 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.3 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.01 -57.94 10.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.576 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.33 -40.33 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.694 -175.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.72 -34.64 74.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -62.49 -34.82 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.647 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.507 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 18.5 m0 -65.75 -51.07 62.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.54 . . . . 0.0 109.734 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.467 HG12 HG11 ' A' ' 84' ' ' VAL . 23.2 t -65.94 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.455 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -67.06 -29.88 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.32 56.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 109.905 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 40' ' ' ILE . 97.4 mt -80.56 -2.97 48.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.843 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 84' ' ' VAL . . . -76.45 -27.26 56.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.524 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 68.32 -60.54 0.42 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 124.173 0.92 . . . . 0.0 109.794 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -105.69 88.73 2.9 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 171.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.94 44.03 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.977 -172.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -118.03 -37.27 3.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.788 0.327 . . . . 0.0 110.825 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.52 -32.24 22.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.848 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.81 -18.95 0.37 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.435 0.694 . . . . 0.0 112.293 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.0 mm? -82.81 3.79 28.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.067 0.461 . . . . 0.0 110.874 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -125.13 8.84 7.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.042 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 75' ' ' ALA . 52.6 t -61.49 112.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 22.9 m -55.73 -52.32 64.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.393 0.433 . . . . 0.0 111.761 -174.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.71 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 111.791 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -90.11 -40.44 12.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -173.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -61.74 -33.89 74.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.259 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 85' ' ' THR . 30.5 mtpp -70.64 -48.68 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.316 176.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -59.85 -51.28 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.628 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 91' ' ' ARG . 27.5 ttt85 -57.34 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.51 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.96 -35.86 82.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.096 0.474 . . . . 0.0 111.174 -179.055 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.956 0.408 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.9 tpt -99.82 149.31 23.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.51 169.74 8.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.199 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.7 mt -79.63 -26.83 41.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.958 0.408 . . . . 0.0 110.299 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -90.12 108.08 19.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.941 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -82.96 82.92 8.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.906 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.51 125.26 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.312 0.577 . . . . 0.0 111.688 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' H ' ' HD2' ' A' ' 10' ' ' PRO . 12.5 tp10 -168.4 -49.63 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.306 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' O ' ' HG3' ' A' ' 11' ' ' ARG . . . -58.83 -52.37 53.62 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 114.689 -1.141 . . . . 0.0 113.405 175.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' HD2' ' H ' ' A' ' 8' ' ' GLU . 96.9 Cg_exo -46.6 -44.42 21.37 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.775 2.317 . . . . 0.0 112.69 175.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' GLY . 67.1 mtt180 72.2 -32.05 0.24 Allowed 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.977 0.798 . . . . 0.0 112.609 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.439 ' HB3' HG22 ' A' ' 22' ' ' THR . 3.4 p -130.21 145.24 51.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.89 0.376 . . . . 0.0 111.492 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 20' ' ' ILE . 11.3 m -102.47 152.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.07 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 19' ' ' SER . 22.4 m -103.79 127.19 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.611 -0.436 . . . . 0.0 109.849 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 44' ' ' ARG . 45.6 mt -73.77 160.14 82.71 Favored Pre-proline 0 C--N 1.318 -0.798 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.56 -28.42 21.86 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.661 2.241 . . . . 0.0 112.848 -175.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -154.58 21.78 0.47 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.866 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.71 34.61 3.26 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.746 -1.216 . . . . 0.0 114.499 -169.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 14' ' ' THR . 13.5 t 59.06 -162.17 0.25 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.855 0.36 . . . . 0.0 111.032 173.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 31.8 pt -102.09 140.78 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.325 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.0 ttp -138.45 148.7 44.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 12' ' ' SER . 48.0 p -98.25 178.36 5.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.253 0.549 . . . . 0.0 111.662 -175.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 50' ' ' LEU . 87.7 mtm180 -81.26 2.74 26.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.14 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.55 -23.34 15.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.852 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.36 8.22 39.42 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.446 0.641 . . . . 0.0 111.112 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.77 123.27 89.19 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.727 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HG2' HG22 ' A' ' 42' ' ' VAL . 31.6 Cg_exo -60.3 111.5 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.628 2.219 . . . . 0.0 110.971 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 2.9 Cg_exo -75.65 49.55 2.46 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.301 2.667 . . . . 0.0 112.675 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.54 -45.82 0.63 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.848 0.859 . . . . 0.0 111.769 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -71.25 -74.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.387 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 32' ' ' ARG . 2.2 m 60.48 -170.76 0.14 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.728 ' H ' HG22 ' A' ' 31' ' ' THR . 47.7 mtt180 -118.21 -73.9 0.63 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.777 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -112.2 121.92 46.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.504 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 96.1 m95 -85.21 93.82 8.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.223 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG23 ' H ' ' A' ' 38' ' ' ARG . 35.4 m -90.77 167.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.97 8.37 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.11 0.256 . . . . 0.0 111.493 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.5 t -57.11 -34.28 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.883 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 6.4 tpm_? -68.93 -43.42 75.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.301 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 34' ' ' TRP . 95.1 mttt -68.64 -50.46 51.11 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.913 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG13 HD21 ' A' ' 74' ' ' LEU . 1.7 mp -58.73 -34.34 51.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.625 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.84 73.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.489 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' HG2' ' A' ' 27' ' ' PRO . 11.9 t -67.08 -59.19 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -59.27 -42.83 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.074 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HB3' HD22 ' A' ' 15' ' ' LEU . 53.7 mtt180 -70.35 -37.11 74.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.908 0.385 . . . . 0.0 110.562 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.42 -50.64 30.94 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.825 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG23 HG13 ' A' ' 47' ' ' ILE . 30.0 m -69.85 -49.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.733 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 HG23 ' A' ' 46' ' ' VAL . 67.5 mt -73.12 -44.6 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 111.873 -172.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -91.12 -26.73 18.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.012 0.434 . . . . 0.0 110.887 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.06 -53.27 1.03 Allowed Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.413 -0.899 . . . . 0.0 114.266 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 23' ' ' ARG . 3.7 mm? -105.68 -76.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -165.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -131.66 -172.84 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.339 0.59 . . . . 0.0 112.23 -164.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.9 p -86.1 171.14 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.384 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 34.3 tp -72.4 -12.08 60.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.926 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 -51.93 57.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.169 0.509 . . . . 0.0 109.84 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.49 ' HB2' HG13 ' A' ' 51' ' ' ILE . 74.8 mm-40 -73.84 -39.56 63.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.544 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -66.32 -18.53 65.41 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.739 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 5.8 ttpm? -89.84 -38.46 13.74 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.468 176.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.67 -36.36 70.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.653 0.263 . . . . 0.0 111.111 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.5 m -92.16 -57.46 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.179 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 56' ' ' ALA . 38.5 m-85 -105.21 15.27 27.72 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -171.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -73.62 -19.84 79.75 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.876 -171.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.559 HD21 ' HH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 36.75 -102.76 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.599 0.759 . . . . 0.0 112.045 -179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 20.3 m -113.14 133.77 54.87 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 171.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -60.84 -40.04 91.34 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.259 -0.177 . . . . 0.0 111.324 -172.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.5 -33.63 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 60.8 tt0 -61.81 -48.43 80.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.926 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -60.3 -41.45 93.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.035 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -61.99 -38.94 90.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.105 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 m -63.54 -28.9 70.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.5 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.559 ' HH2' HD21 ' A' ' 62' ' ' LEU . 45.4 m0 -69.93 -47.37 62.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.255 0.55 . . . . 0.0 109.623 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.24 -38.58 82.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.576 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.3 t -61.88 -35.73 79.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.43 -30.54 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.239 0.543 . . . . 0.0 110.243 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD21 HG13 ' A' ' 40' ' ' ILE . 93.4 mt -84.08 -11.59 56.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.473 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.53 -56.74 4.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 67.6 -61.22 0.37 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.886 0.741 . . . . 0.0 110.883 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -101.47 112.38 24.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.01 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.94 54.03 0.68 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.984 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -88.28 -48.73 7.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.396 0.617 . . . . 0.0 109.482 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.3 m-20 -87.15 -35.03 18.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.91 -12.99 0.36 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.886 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' A' ' 91' ' ' ARG . 48.5 tp -104.68 -9.64 18.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.297 0.57 . . . . 0.0 109.791 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -86.93 7.17 28.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.04 123.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.5 m -44.54 -54.44 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -170.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.37 68.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.026 0.441 . . . . 0.0 111.782 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.51 -39.64 13.19 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.47 -39.0 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.924 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 28.6 mmtp -72.31 -41.89 66.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.448 ' O ' HD13 ' A' ' 94' ' ' LEU . 87.8 t80 -69.42 -14.98 63.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 0.0 111.084 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.503 ' HG2' HD11 ' A' ' 82' ' ' LEU . 18.3 tpt85 -99.99 -44.8 5.9 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.158 -0.338 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -70.6 -36.25 73.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.359 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.51 -27.68 66.37 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.719 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.0 mp -69.46 -23.85 63.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.772 0.32 . . . . 0.0 111.397 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.72 86.67 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.296 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 68.94 103.11 0.06 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.906 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -64.45 -67.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.695 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -161.87 -160.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -154.8 108.12 2.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.164 0.507 . . . . 0.0 109.907 171.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -74.15 123.87 25.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.841 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.541 178.579 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 tpp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.6 mtt -87.6 145.68 26.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.904 0.383 . . . . 0.0 110.107 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -110.58 26.93 10.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.545 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.84 69.24 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -173.41 150.36 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.944 -1.025 . . . . 0.0 108.38 -171.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 56.8 pttt -75.04 90.07 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.822 0.82 . . . . 0.0 111.232 -176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.8 23.08 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.809 0.814 . . . . 0.0 109.198 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -84.71 91.31 7.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.048 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.62 65.63 3.41 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.685 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.58 7.44 5.01 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.926 2.417 . . . . 0.0 112.787 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.3 mmt180 67.7 37.2 3.33 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.522 0.677 . . . . 0.0 111.107 -178.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 p -92.69 108.91 20.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.136 172.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG11 ' HA3' ' A' ' 49' ' ' GLY . 25.6 m -92.85 148.04 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.061 0.458 . . . . 0.0 111.563 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 m -98.52 115.75 29.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.032 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 19' ' ' SER . 88.2 mt -82.86 160.9 59.87 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.436 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 57.4 Cg_endo -69.9 -3.56 12.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.661 2.24 . . . . 0.0 112.841 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.1 1.39 28.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.29 -10.2 56.46 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.062 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.554 ' HB2' HD12 ' A' ' 15' ' ' LEU . 17.1 m -75.38 129.18 36.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.88 0.371 . . . . 0.0 111.608 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 7.6 pt -101.55 105.24 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 172.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.7 ttp -114.58 128.68 56.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.396 -174.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 2.4 m -92.89 168.23 11.3 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.774 ' HA ' HD23 ' A' ' 26' ' ' LEU . 68.1 ttp85 -64.43 -6.1 6.6 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.272 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.02 -20.51 65.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.986 0.422 . . . . 0.0 110.448 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' HB2' ' HG2' ' A' ' 21' ' ' MET . 5.5 m-20 -99.16 -5.05 30.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.808 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 23' ' ' ARG . 4.6 mm? -85.08 114.62 57.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.15 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.594 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 16.7 Cg_exo -69.23 110.63 2.49 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 123.085 2.523 . . . . 0.0 111.721 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -62.09 -46.91 11.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.372 2.048 . . . . 0.0 111.413 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -170.63 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.153 176.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -116.43 79.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.117 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 13.8 t -83.15 178.94 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.637 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -82.24 75.84 9.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.608 0.242 . . . . 0.0 110.685 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 69.76 134.8 0.03 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 124.233 0.958 . . . . 0.0 111.837 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.404 ' HZ3' HG21 ' A' ' 42' ' ' VAL . 98.4 m95 -82.53 78.1 9.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 38' ' ' ARG . 34.6 m -84.25 177.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.162 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.1 83.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.342 . . . . 0.0 111.378 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 m -61.6 -30.46 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.783 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -75.43 -44.74 42.89 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.897 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -55.69 -55.4 32.65 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.276 0.56 . . . . 0.0 111.208 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG22 ' HD2' ' A' ' 44' ' ' ARG . 45.1 mt -66.21 -29.18 45.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.631 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.45 94.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.967 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.657 ' O ' HG22 ' A' ' 46' ' ' VAL . 11.7 t -62.85 -57.86 10.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -60.92 -38.53 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -176.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.515 ' HD2' HG22 ' A' ' 40' ' ' ILE . 29.1 mtt180 -63.97 -51.88 62.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.791 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA3' HD11 ' A' ' 26' ' ' LEU . . . -61.17 -50.76 63.74 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.929 -175.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 42' ' ' VAL . 22.3 m -66.8 -64.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.993 0.397 . . . . 0.0 111.448 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.617 HG13 HG23 ' A' ' 46' ' ' VAL . 42.4 mt -62.13 -43.35 97.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 122.748 0.419 . . . . 0.0 112.013 -168.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -88.56 -40.37 13.43 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.467 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' HA3' HG11 ' A' ' 13' ' ' VAL . . . -101.15 -52.65 1.06 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.277 -0.963 . . . . 0.0 114.579 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -94.59 -75.27 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -166.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 55' ' ' GLU . 2.0 pp -141.21 168.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -169.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -70.99 169.45 14.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.384 0.611 . . . . 0.0 111.105 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.26 -28.55 69.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.95 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.73 79.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.065 0.46 . . . . 0.0 110.45 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.55 ' HB2' HD13 ' A' ' 51' ' ' ILE . 7.4 mm-40 -72.59 -44.08 62.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -55.43 -49.66 71.83 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.194 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -55.71 -47.32 77.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.644 0.259 . . . . 0.0 110.571 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -60.85 -42.36 97.67 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.0 m -100.29 -53.2 3.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 112.064 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 56' ' ' ALA . 32.5 m-85 -105.53 15.63 26.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.049 -173.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.494 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -72.35 -23.5 77.84 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.213 -175.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 44.05 -97.95 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.526 0.73 . . . . 0.0 111.214 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -115.94 127.33 54.88 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 166.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.44 -40.72 62.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 123.293 0.37 . . . . 0.0 110.829 -174.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.23 -36.15 83.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.262 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.96 -51.78 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -62.81 -45.97 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.398 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.41 -37.07 72.16 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.71 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -62.68 -35.97 81.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -66.08 -46.89 76.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.16 0.505 . . . . 0.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.64 -42.46 92.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.015 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -62.31 -35.72 79.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.509 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.18 -34.37 72.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -77.28 -27.76 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.522 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.556 ' HA ' HG21 ' A' ' 84' ' ' VAL . . . -85.73 8.13 20.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.239 -175.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.8 58.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.9 p80 58.73 16.53 4.48 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.237 -1.347 . . . . 0.0 112.349 176.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.74 10.13 50.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 13.9 tmtt? -92.56 -45.97 7.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.983 0.42 . . . . 0.0 110.536 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.59 24.9 9.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.212 0.53 . . . . 0.0 110.674 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.88 -6.88 13.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.734 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -99.54 0.98 43.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD2' ' O ' ' A' ' 83' ' ' LYS . 3.4 tmmm? -114.37 -34.84 5.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.826 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 75' ' ' ALA . 40.7 t -59.5 114.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.596 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -55.34 -43.32 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.2 -39.26 82.08 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.148 0.499 . . . . 0.0 111.538 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.66 -41.46 14.2 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -59.08 -36.37 74.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.014 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -64.54 -52.11 59.39 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -57.96 -45.67 86.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.672 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 91' ' ' ARG . 6.6 tpt180 -66.89 -41.6 86.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.204 -176.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -77.87 -27.86 49.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.028 0.442 . . . . 0.0 110.624 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.72 -34.77 78.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.65 -21.1 22.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.621 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.507 ' HG3' ' H ' ' A' ' 97' ' ' HIS . 9.1 tp10 73.73 153.03 0.13 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.018 0.824 . . . . 0.0 110.873 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -75.09 -33.83 61.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.526 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.507 ' H ' ' HG3' ' A' ' 95' ' ' GLU . 33.5 m-70 -104.13 93.72 4.99 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -97.43 -28.11 14.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.693 -171.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -147.17 17.19 1.2 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -160.97 150.88 17.37 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.358 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.056 171.067 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.872 0.368 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.8 ttt -154.45 115.56 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.307 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.533 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 75.1 m-85 -94.22 87.03 5.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.248 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.3 tp -107.18 -49.57 3.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.354 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -81.78 0.27 39.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.666 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' A' ' 3' ' ' PHE . 40.8 ttmt -162.78 104.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.82 37.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 122.308 1.051 . . . . 0.0 110.024 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -82.72 5.25 21.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.002 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.86 -61.81 0.56 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.358 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.14 133.24 17.7 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.631 2.22 . . . . 0.0 112.895 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -103.76 77.99 1.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.78 173.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 p -162.16 157.14 22.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.536 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.524 HG11 ' HA2' ' A' ' 49' ' ' GLY . 2.3 m -112.84 118.61 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.467 178.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.647 ' HA ' ' O ' ' A' ' 19' ' ' SER . 23.9 m -77.9 115.54 17.72 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.392 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 18' ' ' GLY . 37.6 mt -66.4 154.34 90.9 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 175.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.6 -30.79 9.26 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.312 2.674 . . . . 0.0 112.622 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -142.39 11.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 15' ' ' LEU . . . -116.47 24.78 9.55 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.584 -1.293 . . . . 0.0 114.286 -166.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.647 ' O ' ' HA ' ' A' ' 14' ' ' THR . 61.1 m 62.46 -172.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.976 0.417 . . . . 0.0 111.602 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 20' ' ' ILE . 12.1 pt -76.82 106.62 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.39 0.614 . . . . 0.0 110.643 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.4 ttt -96.13 124.22 40.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.773 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -102.34 160.66 14.35 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -72.02 -5.58 36.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.011 0.434 . . . . 0.0 110.707 -178.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.71 -13.97 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.093 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.02 -0.93 57.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' A' ' 23' ' ' ARG . 79.8 mt -81.65 129.08 66.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.745 -175.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.666 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 71.7 Cg_exo -49.07 125.02 12.47 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.875 3.05 . . . . 0.0 112.362 171.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.73 41.13 0.77 Allowed 'Trans proline' 0 N--CA 1.472 0.236 0 C-N-CA 123.459 2.773 . . . . 0.0 113.204 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.58 -60.43 0.47 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.757 0.661 . . . . 0.0 111.191 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -94.53 48.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.29 0.567 . . . . 0.0 109.883 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.666 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.3 m -51.21 131.67 28.02 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.954 177.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -84.2 -11.55 56.33 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.98 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 3.4 mpt_? -126.15 85.85 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.408 176.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -89.09 66.83 7.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.98 0.419 . . . . 0.0 110.642 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 m -80.17 159.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -55.46 -49.28 72.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.191 0.307 . . . . 0.0 110.942 -176.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m -58.59 -28.05 65.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.656 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 42' ' ' VAL . 18.8 ttm180 -81.69 -44.78 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.335 -0.228 . . . . 0.0 111.251 -176.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' HG23 ' A' ' 42' ' ' VAL . 14.8 ptpt -68.38 -33.37 74.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.876 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 74' ' ' LEU . 29.4 mm -62.77 -35.7 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.088 0.47 . . . . 0.0 110.085 172.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.67 69.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 27' ' ' PRO . 28.4 t -61.33 -54.35 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -60.2 -41.28 86.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.153 178.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 44' ' ' ARG . 53.2 mtt180 -62.71 -47.35 84.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.712 0.291 . . . . 0.0 110.625 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.4 -38.1 93.29 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.289 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.579 HG23 HG13 ' A' ' 47' ' ' ILE . 28.1 m -78.76 -59.32 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.421 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.579 HG13 HG23 ' A' ' 46' ' ' VAL . 70.2 mt -65.58 -47.78 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.021 0.439 . . . . 0.0 111.872 -172.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -85.0 -25.04 27.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.353 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.524 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.21 -75.33 1.13 Allowed Glycine 0 N--CA 1.44 -1.083 0 C-N-CA 120.5 -0.857 . . . . 0.0 115.036 -169.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 23' ' ' ARG . 8.0 mp -106.31 -76.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -162.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.24 173.84 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.254 0.55 . . . . 0.0 112.33 -166.018 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -79.69 171.42 15.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.374 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 67' ' ' PHE . 35.0 tp -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.198 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.54 -53.81 53.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.5 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -64.24 -43.85 93.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.492 0.663 . . . . 0.0 109.815 -179.384 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.43 -9.68 57.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.735 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -94.55 -44.78 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.362 . . . . 0.0 110.364 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 -30.56 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.67 0.272 . . . . 0.0 110.923 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 58.4 m -100.25 -54.4 2.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.9 m-85 -106.1 17.09 24.06 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.7 -29.49 49.41 Favored Glycine 0 C--N 1.331 0.266 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 -169.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 52.25 -91.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 121.681 0.753 . . . . 0.0 110.531 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 40.3 m -148.05 144.4 27.87 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.43 -47.92 72.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.988 0.18 . . . . 0.0 111.472 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 3.1 tp10 -62.89 -35.84 81.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 111.225 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.28 -54.79 43.03 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 53' ' ' LEU . 38.2 t80 -62.08 -38.85 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.547 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -57.99 -41.13 82.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.0 m -61.81 -34.56 76.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.02 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -64.78 -54.81 25.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 109.92 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.69 -36.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.932 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 t -63.67 -34.41 77.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 110.675 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.85 -32.94 46.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.115 0.483 . . . . 0.0 110.294 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 40' ' ' ILE . 89.3 mt -79.0 -19.45 51.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.949 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.86 -11.43 59.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.356 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.24 -67.36 0.22 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.353 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -88.28 -44.87 10.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.902 0.382 . . . . 0.0 110.566 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.46 -142.23 33.59 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 69.16 -65.68 0.28 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.649 0.78 . . . . 0.0 111.387 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.415 ' OD2' ' HD2' ' A' ' 83' ' ' LYS . 10.6 t70 -84.96 -55.84 3.86 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.515 -177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 67.99 1.0 2.57 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.235 -0.893 . . . . 0.0 113.011 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.0 tp -88.67 -35.04 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.045 0.45 . . . . 0.0 110.447 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD2' ' OD2' ' A' ' 80' ' ' ASP . 8.3 mptt -93.92 5.52 51.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.104 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.43 125.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 m -51.79 -47.86 64.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -172.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.79 70.09 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 87' ' ' LEU . 2.7 tm? -89.67 -38.7 13.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 -173.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.18 -45.91 75.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.8 174.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 36.6 mtpt -67.1 -41.42 86.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.75 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.484 ' O ' HD13 ' A' ' 94' ' ' LEU . 58.0 t80 -57.42 -51.79 67.99 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.404 0.44 . . . . 0.0 110.434 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -69.41 -45.35 69.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.59 -29.04 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 tp -72.01 -40.19 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.541 0.21 . . . . 0.0 110.722 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.1 mp -70.82 -42.9 69.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -67.01 -59.12 3.75 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 69.97 -8.23 0.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.537 171.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -142.91 119.92 11.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.682 0.277 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -85.72 3.29 41.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.7 t60 77.75 -50.14 0.51 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 114.673 -1.149 . . . . 0.0 112.009 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -164.41 33.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.282 0.563 . . . . 0.0 110.283 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.677 -179.083 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -78.01 0.42 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.25 -176.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 88.6 m-85 -90.5 -11.36 40.46 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -174.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 8.9 mp 66.57 15.81 10.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.383 0.611 . . . . 0.0 110.379 -175.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -168.92 122.09 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -79.66 113.54 17.89 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.58 68.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.038 174.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -117.35 -68.48 0.92 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.059 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.69 75.94 0.41 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.431 174.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.44 119.92 7.37 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.732 2.288 . . . . 0.0 111.708 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -87.18 -23.37 24.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.466 ' HB2' HG22 ' A' ' 22' ' ' THR . 20.8 t -136.03 145.22 45.82 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.613 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.3 m -116.37 139.04 44.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.58 174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -93.91 107.52 19.41 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.01 139.72 88.05 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.07 -6.54 5.11 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 123.115 2.543 . . . . 0.0 111.479 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.48 -24.91 62.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.771 176.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.81 1.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.675 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -159.04 135.54 9.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 pt -91.2 127.74 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.302 0.572 . . . . 0.0 110.546 176.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.7 mmm -122.67 142.39 50.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.689 -178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 12' ' ' SER . 66.6 p -114.64 171.4 7.66 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -31.27 70.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.25 62.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.933 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -76.9 -23.28 52.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.41 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD21 ' HA3' ' A' ' 45' ' ' GLY . 91.7 mt -70.28 131.95 88.24 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.489 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.642 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 19.1 Cg_exo -38.41 119.05 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 124.318 3.346 . . . . 0.0 113.322 176.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -76.24 47.72 2.11 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.36 2.707 . . . . 0.0 112.915 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.97 -51.53 0.68 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.742 0.817 . . . . 0.0 111.743 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -64.79 -77.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.131 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.642 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 4.8 m 65.22 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.995 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -86.56 108.97 18.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.012 0.434 . . . . 0.0 111.612 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 34' ' ' TRP . 30.4 ttp180 76.61 -35.37 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.863 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.48 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 81.5 m95 68.74 100.23 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.029 0.442 . . . . 0.0 111.776 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 38' ' ' ARG . 26.9 m -90.74 154.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -60.94 -40.39 93.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.9 t -58.36 -34.57 70.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.802 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.9 ttm-85 -80.39 -30.06 37.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.688 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.574 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 24.7 mtpp -64.71 -46.93 80.19 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.444 HG23 HD21 ' A' ' 74' ' ' LEU . 74.9 mt -62.58 -31.95 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.5 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.28 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.197 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -67.37 -55.79 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.831 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.471 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -58.49 -41.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -177.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 48' ' ' TYR . 72.1 mtm180 -71.14 -33.79 70.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.804 0.335 . . . . 0.0 110.694 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.82 -47.96 36.9 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.819 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 47' ' ' ILE . 29.5 m -72.92 -50.76 30.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 122.677 -0.308 . . . . 0.0 111.798 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.614 HG13 HG23 ' A' ' 46' ' ' VAL . 84.5 mt -72.34 -40.75 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 111.838 -172.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.553 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 88.4 t80 -88.75 -26.75 21.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 0.0 111.076 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.45 -57.28 0.84 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.611 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB3' HG23 ' A' ' 51' ' ' ILE . 3.5 mm? -106.1 -75.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -164.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -135.16 -173.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.115 0.483 . . . . 0.0 112.289 -164.558 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.469 ' HB ' ' OH ' ' A' ' 90' ' ' TYR . 44.8 p -90.04 177.74 6.38 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.224 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 67' ' ' PHE . 46.3 tp -70.78 -19.81 62.66 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.592 0.234 . . . . 0.0 110.753 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.37 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HB2' HG13 ' A' ' 51' ' ' ILE . 4.7 mp0 -70.7 -38.93 73.71 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.141 0.496 . . . . 0.0 110.125 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -72.23 -6.63 44.3 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.352 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.436 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 37.2 ttmt -92.82 -41.11 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -58.48 -44.4 89.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.034 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 m -96.68 -53.38 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.905 -176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 44.1 m-85 -106.93 16.52 24.19 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -171.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -55.96 -37.44 70.64 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 50.3 -92.53 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.615 0.722 . . . . 0.0 110.847 -174.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.405 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 22.6 m -143.02 147.13 34.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.139 175.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.11 -48.38 81.93 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.782 -174.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.03 -38.09 78.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.14 -61.8 2.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.456 ' CE1' HD13 ' A' ' 53' ' ' LEU . 28.7 t80 -60.28 -42.38 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -174.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -65.46 -30.59 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.2 t -62.91 -32.73 74.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.471 ' HE3' HG13 ' A' ' 43' ' ' VAL . 21.6 m0 -68.65 -49.24 60.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 109.986 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.35 -38.42 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.27 -34.16 76.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.939 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -32.97 65.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.179 0.514 . . . . 0.0 110.269 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD21 HG23 ' A' ' 40' ' ' ILE . 96.5 mt -79.48 -10.65 59.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.647 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -97.3 7.06 47.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.777 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 8.0 tp10 70.2 -82.16 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.614 0.571 . . . . 0.0 109.782 -176.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' CD2' ' HG3' ' A' ' 76' ' ' GLU . 84.5 m-70 -135.11 -2.7 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.304 176.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.06 -82.07 0.54 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.188 -0.53 . . . . 0.0 112.18 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.4 tttt 69.96 -66.57 0.27 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.505 1.122 . . . . 0.0 111.559 177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.16 -36.33 9.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.398 -174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 64.34 20.11 12.04 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.652 0.595 . . . . 0.0 110.956 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -108.71 -33.25 7.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.538 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -104.09 5.77 35.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.092 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.09 105.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.327 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.4 m -45.4 -59.6 2.6 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.826 0.704 . . . . 0.0 112.875 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.64 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.86 -42.36 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -174.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -60.51 -38.17 83.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.848 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -74.37 -38.35 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.468 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.656 ' O ' HD13 ' A' ' 94' ' ' LEU . 70.3 t80 -61.64 -31.11 71.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.02 0.438 . . . . 0.0 110.7 177.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -89.77 -40.67 12.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.999 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.14 -26.32 63.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.817 0.342 . . . . 0.0 111.45 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.89 -16.49 61.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.374 0.607 . . . . 0.0 110.261 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.0 mp -105.19 38.28 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.787 176.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.36 160.39 6.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.323 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -101.37 -11.19 19.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.612 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -96.8 85.45 3.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.991 0.9 . . . . 0.0 108.772 168.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -74.34 -8.1 55.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.76 -169.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 16.4 t60 -111.94 29.4 7.9 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 27.4 m80 70.62 -67.25 0.25 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.81 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.845 -0.597 . . . . 0.0 109.513 -179.344 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -60.51 102.63 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.745 0.307 . . . . 0.0 111.261 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -106.59 179.86 4.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 6' ' ' LYS . 6.7 mp -94.86 -156.84 0.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -80.38 23.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.251 0.548 . . . . 0.0 110.515 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 4' ' ' LEU . 22.5 ttpp -141.52 136.61 31.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.363 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.917 ' HB ' ' HD3' ' A' ' 10' ' ' PRO . 23.5 t -67.46 155.38 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -40.84 81.7 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.151 0.282 . . . . 0.0 111.654 -178.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.15 67.02 0.28 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.334 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.917 ' HD3' ' HB ' ' A' ' 7' ' ' VAL . 4.8 Cg_endo -47.19 112.99 0.59 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.233 2.622 . . . . 0.0 112.794 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.702 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -92.27 -1.66 56.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.907 179.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.6 t -140.21 136.39 33.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.901 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.76 136.39 41.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.02 -176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -100.18 110.06 22.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.798 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD13 HH11 ' A' ' 44' ' ' ARG . 91.1 mt -81.77 146.84 57.23 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.014 179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -62.84 -3.53 4.73 Favored 'Trans proline' 0 N--CA 1.478 0.59 0 C-N-CA 123.334 2.69 . . . . 0.0 113.583 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.14 -1.32 57.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.03 39.57 10.02 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 128.06 36.37 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.62 126.74 63.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.084 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.9 mtp -120.8 143.85 48.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.708 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -101.45 177.85 4.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.865 0.365 . . . . 0.0 110.326 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' A' ' 50' ' ' LEU . 34.6 ttp-105 -73.84 -1.92 21.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.993 0.425 . . . . 0.0 110.855 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.55 0.44 20.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.163 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.59 0.37 55.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.754 0.311 . . . . 0.0 111.504 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HA3' ' A' ' 45' ' ' GLY . 78.6 mt -83.43 134.04 46.09 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.639 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 84.4 Cg_exo -51.48 111.55 0.61 Allowed 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.967 2.445 . . . . 0.0 112.132 174.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 31.4 Cg_exo -60.99 -48.56 10.09 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.046 2.498 . . . . 0.0 112.745 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -172.49 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.769 0.795 . . . . 0.0 109.873 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -46.07 12.89 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.396 -177.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.639 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 32.4 m 69.63 120.88 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.982 0.802 . . . . 0.0 111.012 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 4.6 ttp180 -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -157.37 115.56 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.817 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -78.86 116.92 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 38' ' ' ARG . 35.3 m -119.98 173.87 5.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 168.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.36 99.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.862 0.363 . . . . 0.0 110.68 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -66.56 -24.18 66.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.179 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' HD2' ' HG3' ' A' ' 27' ' ' PRO . 19.5 tpp180 -72.73 -40.69 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.145 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.4 mttt -65.95 -45.12 82.94 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.186 0.517 . . . . 0.0 110.479 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.09 -35.62 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.227 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.41 -30.77 71.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.316 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG22 ' HG2' ' A' ' 27' ' ' PRO . 18.9 t -66.02 -55.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -62.88 -35.53 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.537 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.843 HH11 HD13 ' A' ' 15' ' ' LEU . 49.6 mtt180 -66.62 -48.98 67.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 111.097 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -67.15 -30.27 75.49 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.94 -0.573 . . . . 0.0 113.534 -174.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 47' ' ' ILE . 27.5 m -84.33 -57.75 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 HG23 ' A' ' 46' ' ' VAL . 82.6 mt -67.15 -47.96 80.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.97 0.414 . . . . 0.0 111.961 -172.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -90.8 -16.13 28.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.205 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.83 -75.32 1.11 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.282 -0.961 . . . . 0.0 114.567 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' HG3' ' A' ' 23' ' ' ARG . 68.9 mt -107.56 -76.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -163.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.652 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -119.49 -174.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.11 0.481 . . . . 0.0 112.293 -165.452 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -86.43 171.88 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.134 -177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.1 tp -64.57 -22.37 66.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.375 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.46 -58.12 9.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HB3' HG13 ' A' ' 51' ' ' ILE . 24.4 tp10 -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.101 0.476 . . . . 0.0 110.513 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.47 69.34 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.347 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.509 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.6 ttpp -83.27 -41.71 18.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.015 0.436 . . . . 0.0 110.254 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -66.49 -38.1 86.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -97.45 -57.31 2.28 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.714 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -98.61 15.0 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.43 -173.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -76.22 -10.73 85.34 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.563 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.491 HD11 ' CH2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER 41.9 -97.34 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.507 0.723 . . . . 0.0 111.69 178.554 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.5 p -120.8 143.54 48.79 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.81 -37.22 70.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.887 0.375 . . . . 0.0 111.192 -172.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.33 -34.69 65.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.581 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -64.08 -46.47 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.351 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.29 -41.78 99.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.974 0.416 . . . . 0.0 110.05 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -69.01 -27.18 65.45 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -61.87 -40.13 94.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.323 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.491 ' CH2' HD11 ' A' ' 62' ' ' LEU . 28.2 m0 -62.97 -52.0 64.7 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 109.962 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.28 -37.19 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.707 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.0 m -65.29 -36.66 84.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.53 58.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 110.375 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.9 mt -80.74 -8.92 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.584 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.94 -12.81 20.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.191 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 67.16 -57.59 0.42 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.322 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -82.83 -57.19 3.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.323 0.582 . . . . 0.0 110.173 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 10.72 85.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.601 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 43.1 mtpt -115.29 -39.09 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.757 0.313 . . . . 0.0 110.451 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.86 -47.82 64.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.732 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 57.81 21.01 7.04 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.607 0.567 . . . . 0.0 111.254 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tt -111.99 -41.06 4.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 -172.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 83.6 tttt -109.74 24.53 12.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.584 0.707 . . . . 0.0 110.528 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.1 t -76.07 97.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.4 m -54.42 -49.24 70.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.505 0.503 . . . . 0.0 112.023 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.2 80.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.014 0.435 . . . . 0.0 111.75 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -86.63 -45.61 10.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -173.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.69 -32.88 74.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.592 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -67.93 -50.29 56.85 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 64.7 t80 -54.36 -52.06 62.81 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.952 0.783 . . . . 0.0 110.436 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -60.14 -51.27 70.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -85.63 0.41 52.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 111.742 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp -93.17 -26.69 17.3 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 173.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 78.6 mt -78.85 -29.28 44.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.763 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -89.32 105.81 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.075 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -86.6 97.05 10.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.019 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -89.84 132.03 35.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.71 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -116.34 17.84 15.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.46 174.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -63.03 -49.62 73.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -173.26 149.99 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.577 178.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.259 0.076 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 20.2 mmt 59.35 82.68 0.14 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.043 0.449 . . . . 0.0 110.917 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -107.59 112.58 25.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.41 0.624 . . . . 0.0 111.062 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 4' ' ' LEU . 2.9 mm? -95.22 -23.33 17.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -91.0 -170.28 2.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.41 173.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 14.8 ptpt -106.89 108.91 20.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.639 0.733 . . . . 0.0 111.697 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -102.29 7.52 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 122.436 1.113 . . . . 0.0 108.536 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -88.09 86.74 7.15 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.225 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.36 66.82 1.98 Allowed Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.784 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.88 -155.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.764 2.309 . . . . 0.0 112.375 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HE ' ' HA ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -94.99 -47.38 6.43 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 120.966 0.413 . . . . 0.0 110.585 178.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' MET . 25.5 t -113.3 140.03 48.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.144 175.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.3 m -130.73 150.22 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.587 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.1 m -96.79 103.78 15.72 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.13 141.4 97.39 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.353 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HG2' HG21 ' A' ' 85' ' ' THR . 27.8 Cg_exo -62.79 -6.12 8.61 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.059 2.506 . . . . 0.0 111.79 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -78.29 -20.44 51.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.055 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.99 39.95 2.77 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.906 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t -139.16 133.13 31.02 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.689 0.28 . . . . 0.0 110.604 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.7 pt -92.32 112.39 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.276 0.56 . . . . 0.0 109.509 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.453 ' O ' ' HA ' ' A' ' 12' ' ' SER . 9.8 tpt -103.16 132.19 49.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.653 -172.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -121.42 175.32 6.23 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.797 0.332 . . . . 0.0 110.286 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -67.56 -23.16 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.247 0.546 . . . . 0.0 109.865 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.62 -8.35 59.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.757 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -96.42 1.11 51.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.582 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.537 HD21 ' HA3' ' A' ' 45' ' ' GLY . 94.7 mt -99.87 135.26 20.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.289 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.572 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.0 Cg_exo -65.06 108.35 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 123.2 2.6 . . . . 0.0 110.512 170.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.515 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 60.1 Cg_endo -73.16 61.1 3.99 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.95 2.434 . . . . 0.0 112.368 -176.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.59 9.43 5.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.005 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -166.22 113.69 0.89 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 122.211 1.005 . . . . 0.0 109.727 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.572 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 9.6 t -118.69 159.47 23.58 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.357 168.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.5 mmp_? -68.57 -24.7 64.64 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -160.71 134.05 6.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.114 0.483 . . . . 0.0 110.941 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.677 ' HB3' ' HD3' ' A' ' 39' ' ' LYS . 97.5 m95 -90.28 80.41 6.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 33.9 m -78.55 155.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.26 71.16 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.646 0.26 . . . . 0.0 111.66 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -59.16 -39.6 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 42' ' ' VAL . 13.7 ttt180 -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.471 -175.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.677 ' HD3' ' HB3' ' A' ' 34' ' ' TRP . 10.1 mmmm -65.15 -51.1 63.21 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.606 HD12 HD21 ' A' ' 74' ' ' LEU . 46.7 mm -61.0 -37.2 76.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.683 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.23 80.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.415 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 38' ' ' ARG . 21.3 t -62.64 -54.56 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -52.07 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.79 -37.53 87.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.577 0.227 . . . . 0.0 110.924 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.537 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -70.72 -43.48 59.54 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.989 -178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 42' ' ' VAL . 35.0 m -78.65 -46.58 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 117.133 0.467 . . . . 0.0 111.832 -177.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 HG23 ' A' ' 46' ' ' VAL . 63.1 mt -72.6 -53.98 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.963 0.411 . . . . 0.0 111.567 -174.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.625 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 34.7 t80 -87.61 -17.63 31.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -173.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.93 -56.12 0.9 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.512 -0.851 . . . . 0.0 114.102 -174.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -103.67 -71.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -168.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.543 HD13 ' HB3' ' A' ' 55' ' ' GLU . 1.6 pp -142.82 -172.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -166.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.58 157.73 31.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.03 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB3' ' OH ' ' A' ' 90' ' ' TYR . 44.7 tp -58.24 -29.39 65.71 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.228 -177.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.78 -48.13 78.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.604 0.24 . . . . 0.0 111.322 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HB3' HD13 ' A' ' 51' ' ' ILE . 16.9 tp10 -66.71 -46.48 75.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.97 0.414 . . . . 0.0 110.871 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.85 -9.71 58.13 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.737 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 39.4 ttmt -88.52 -40.76 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 82.2 mm-40 -67.11 -27.39 67.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.256 175.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.9 m -100.38 -62.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.788 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.515 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 27.0 m-85 -106.03 15.18 26.82 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -174.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -63.38 -21.88 64.92 Favored Glycine 0 C--O 1.229 -0.213 0 N-CA-C 114.905 0.722 . . . . 0.0 114.905 -167.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.516 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 55.18 -97.05 0.07 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -176.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.516 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 52.3 m -129.55 141.82 50.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 166.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.47 -49.7 44.38 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.319 0.387 . . . . 0.0 110.969 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.56 -39.47 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.01 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -69.51 -49.48 54.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.722 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.92 -41.62 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.943 0.402 . . . . 0.0 110.193 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.46 -18.57 62.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.625 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -70.07 -29.53 66.55 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.788 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.488 ' CH2' HD11 ' A' ' 62' ' ' LEU . 47.6 m0 -66.35 -45.87 78.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 174.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.7 t -66.0 -30.8 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.169 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 t -67.3 -33.85 76.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.16 -28.81 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.292 0.568 . . . . 0.0 110.267 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD21 HD12 ' A' ' 40' ' ' ILE . 96.0 mt -90.61 -2.57 57.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.842 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.72 84.01 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.131 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.699 ' HB3' ' HD3' ' A' ' 79' ' ' LYS . 38.6 mt-10 55.4 24.27 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.146 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 81' ' ' ALA . 11.3 m170 -69.41 -23.52 63.72 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 174.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.26 -13.17 70.13 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.273 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.699 ' HD3' ' HB3' ' A' ' 76' ' ' GLU . 36.4 mtpt -97.15 -73.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.226 0.536 . . . . 0.0 110.371 178.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -132.5 -30.56 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.098 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 77' ' ' HIS . . . 74.93 0.09 3.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.48 0.712 . . . . 0.0 112.264 174.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.4 mt -117.93 156.82 27.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 67.81 -4.17 1.03 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.53 106.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.532 HG21 ' HG2' ' A' ' 16' ' ' PRO . 24.2 p -55.2 -63.46 1.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.776 -171.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -34.83 61.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.35 -51.91 7.0 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -173.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 92' ' ' GLN . 63.1 tttm -63.58 -36.18 82.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.23 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HG3' ' HE1' ' A' ' 48' ' ' TYR . 29.0 mmtp -73.56 -35.21 65.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.322 -178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.457 ' OH ' ' HB3' ' A' ' 53' ' ' LEU . 37.0 t80 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.53 ' HA ' ' HB2' ' A' ' 94' ' ' LEU . 22.2 mtp180 -80.87 -30.71 35.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.439 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 19.4 tp60 -67.61 -33.85 75.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.089 176.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.5 tp -90.51 -18.19 25.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.535 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 91' ' ' ARG . 6.6 tp -62.74 -41.13 99.05 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.5 145.28 25.83 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 167.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -80.29 75.52 7.09 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.019 -0.672 . . . . 0.0 111.765 -172.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -136.97 86.53 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.711 173.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -95.52 41.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.56 0.695 . . . . 0.0 110.358 -176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -79.41 81.58 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.779 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -95.82 175.3 6.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.813 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.772 178.648 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.524 ' HG2' ' H ' ' A' ' 2' ' ' MET . 23.1 ttt . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.524 ' H ' ' HG2' ' A' ' 1' ' ' MET . 64.3 mtt 71.64 101.16 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.571 0.544 . . . . 0.0 110.632 -178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -137.21 132.67 34.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.16 0.505 . . . . 0.0 111.186 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -104.73 8.68 35.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.14 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.546 ' HG3' ' H ' ' A' ' 6' ' ' LYS . 10.2 ptp180 -152.82 -65.02 0.16 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.021 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 5' ' ' ARG . 9.4 tmtt? -176.23 94.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -170.23 88.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 122.013 0.911 . . . . 0.0 110.806 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.5 -28.75 56.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.701 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.462 ' H ' ' HD3' ' A' ' 10' ' ' PRO . . . 138.01 62.18 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.054 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD3' ' H ' ' A' ' 9' ' ' GLY . 74.3 Cg_endo -76.25 112.27 3.44 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.311 2.007 . . . . 0.0 112.807 -173.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -70.39 -34.84 73.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.41 174.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.71 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.3 p -111.81 123.27 49.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.345 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.78 153.79 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.0 m -102.5 108.71 20.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.47 161.38 79.39 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.85 11.4 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.128 2.552 . . . . 0.0 113.143 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -99.4 -7.78 25.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.316 0.579 . . . . 0.0 109.474 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.43 15.42 68.78 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -104.48 150.58 24.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.753 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 pt -100.17 130.13 49.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 ttm -126.06 119.57 27.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.921 175.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 4.4 m -89.85 154.92 19.51 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -69.34 -8.29 44.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.066 0.46 . . . . 0.0 110.518 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.61 -10.45 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.778 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -88.06 -13.47 41.42 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.317 0.58 . . . . 0.0 109.795 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.77 148.19 47.96 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.471 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.622 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 76.3 Cg_exo -47.67 109.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.244 2.629 . . . . 0.0 111.075 166.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.72 -38.17 90.38 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.638 2.225 . . . . 0.0 112.42 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -176.93 -44.84 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.067 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -129.34 87.44 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.258 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.622 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 5.6 m -67.05 125.55 26.37 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 169.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 -73.43 -26.03 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.562 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -135.43 106.75 6.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.968 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.427 ' CE3' ' HG2' ' A' ' 39' ' ' LYS . 82.3 m95 -87.92 132.83 34.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 38' ' ' ARG . 18.3 m -119.67 157.24 21.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.43 80.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.0 m -59.27 -31.84 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 111.516 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.4 ttt180 -77.62 -28.68 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.314 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 70' ' ' TRP . 82.8 mttt -74.53 -39.7 62.2 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.114 0.483 . . . . 0.0 109.85 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.607 HG23 HD21 ' A' ' 74' ' ' LEU . 75.8 mt -58.43 -38.58 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.115 173.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.25 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.018 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 38' ' ' ARG . 19.5 t -61.35 -56.54 17.15 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.179 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.923 -178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.487 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -60.37 -40.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -177.419 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -72.11 -37.69 69.46 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.303 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.72 -48.82 59.48 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.409 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.691 HG23 HG13 ' A' ' 47' ' ' ILE . 24.4 m -68.7 -56.46 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 O-C-N 122.721 -0.282 . . . . 0.0 111.662 -177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.691 HG13 HG23 ' A' ' 46' ' ' VAL . 81.2 mt -70.02 -44.36 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 123.33 0.394 . . . . 0.0 111.912 -170.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -85.27 -29.96 24.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.028 0.442 . . . . 0.0 111.115 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -60.75 0.81 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.328 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.14 -76.25 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -165.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.15 171.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.2 0.524 . . . . 0.0 112.349 -166.232 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -69.38 165.0 21.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.732 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.93 -33.59 73.4 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.893 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -56.67 -45.54 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.83 -9.65 58.87 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.855 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -89.36 -36.39 15.54 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 30.0 mm-40 -65.42 -43.0 91.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.251 0.548 . . . . 0.0 110.01 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -92.18 -54.25 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.447 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.456 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 74.4 m-85 -105.69 16.51 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -171.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.14 -21.21 69.8 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.801 -0.714 . . . . 0.0 114.15 -173.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 45.44 -96.47 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.44 0.696 . . . . 0.0 111.34 -177.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.532 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 51.0 m -140.5 144.45 36.0 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.13 -48.34 44.81 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.458 0.474 . . . . 0.0 111.578 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.683 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.15 -44.82 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.44 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -63.03 -42.71 99.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.668 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -66.14 -32.54 74.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.442 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -60.28 -40.21 89.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.859 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.498 ' CE2' ' HB3' ' A' ' 39' ' ' LYS . 38.1 m0 -63.95 -51.41 64.51 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-O 121.134 0.492 . . . . 0.0 110.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.08 -43.23 98.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.997 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.0 m -65.76 -30.41 71.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.55 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 109.921 177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD21 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -79.49 -19.77 48.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.814 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 81' ' ' ALA . . . -75.04 -9.93 58.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.509 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 74.86 -38.59 0.39 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.883 0.739 . . . . 0.0 110.204 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 75' ' ' ALA . 79.9 m-70 -129.56 122.48 29.25 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 171.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.92 55.86 3.89 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.028 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -140.53 -51.46 0.47 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.136 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.7 -61.8 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.614 -174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . . . 70.05 -9.93 0.68 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.404 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.7 tp -76.28 -13.8 60.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.39 0.614 . . . . 0.0 110.32 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -76.96 -20.03 56.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.686 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.82 119.75 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.208 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 m -53.75 -38.23 64.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 111.924 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.34 55.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.601 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 87' ' ' LEU . 2.3 tm? -87.83 -39.9 14.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.38 -38.45 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.743 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 18.8 mmtp -71.52 -34.3 69.95 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 176.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.504 ' O ' HD13 ' A' ' 94' ' ' LEU . 35.7 t80 -66.82 -16.57 64.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 110.366 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -94.84 -49.44 5.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 171.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -64.2 -33.68 76.36 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.61 -30.84 71.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 90' ' ' TYR . 9.8 mp -82.44 61.22 5.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.65 0.738 . . . . 0.0 110.432 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.7 125.79 41.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.522 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -88.67 107.16 18.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -83.99 86.09 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.728 -167.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -74.3 135.94 42.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.17 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -130.47 -66.86 0.75 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.948 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -72.61 -28.35 62.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.269 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 C--O 1.249 1.037 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 177.279 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.4 mtt 68.49 -61.46 0.4 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.671 0.788 . . . . 0.0 111.281 -176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.83 154.73 20.67 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.55 -23.71 64.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.472 -175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -131.82 -75.64 0.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -159.25 -89.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.031 176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.5 t 47.76 54.21 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.998 0.904 . . . . 0.0 109.847 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -92.06 -57.52 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.626 -174.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.29 -64.69 1.45 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.94 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.61 126.57 7.5 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.067 2.511 . . . . 0.0 112.165 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -83.4 85.05 7.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.524 0.678 . . . . 0.0 109.365 173.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -121.07 144.02 48.77 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.979 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.518 HG11 ' HA2' ' A' ' 49' ' ' GLY . 9.3 m -105.41 131.08 55.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.063 0.459 . . . . 0.0 111.022 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -92.53 111.36 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -84.34 156.59 62.7 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.028 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.71 -4.39 7.04 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.899 2.399 . . . . 0.0 112.494 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.03 -20.22 42.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.102 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.72 -21.62 41.61 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 m -80.6 134.35 35.89 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.417 -0.391 . . . . 0.0 110.309 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 pt -95.85 133.95 35.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.228 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.411 ' HB2' HG23 ' A' ' 13' ' ' VAL . 86.4 mmm -106.4 135.32 48.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.085 0.469 . . . . 0.0 110.978 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.33 162.88 26.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.861 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.32 -11.95 46.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.9 -9.89 35.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.314 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -94.48 -11.29 29.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.044 0.449 . . . . 0.0 111.058 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 50' ' ' LEU . 48.3 mt -68.69 139.95 91.6 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.941 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 25.9 Cg_exo -64.36 115.3 3.1 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 111.536 170.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 7.2 Cg_exo -73.74 64.37 4.84 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 123.157 2.571 . . . . 0.0 112.132 -178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.13 -54.05 0.67 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.757 0.823 . . . . 0.0 111.9 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.547 ' O ' HG22 ' A' ' 31' ' ' THR . 13.2 p30 -98.14 -42.6 7.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.575 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 0.6 OUTLIER 62.03 -2.3 0.32 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.184 0.994 . . . . 0.0 112.567 177.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 30' ' ' ASN . 25.0 mtp85 73.19 -34.47 0.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.463 1.105 . . . . 0.0 112.419 176.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -154.1 113.48 3.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -86.36 126.32 34.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.752 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 38' ' ' ARG . 31.2 m -122.12 172.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 170.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 40' ' ' ILE . . . -57.11 -48.29 78.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.583 0.23 . . . . 0.0 111.463 -177.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.1 p -65.48 -29.18 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.601 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.6 mmt180 -61.55 -44.05 97.75 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.24 -48.06 68.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.03 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.494 HG23 HD21 ' A' ' 74' ' ' LEU . 45.8 mm -62.33 -28.08 43.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.7 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.38 -29.35 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.184 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 38' ' ' ARG . 10.5 t -69.85 -52.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.485 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -56.29 -54.05 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.562 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -66.83 -31.05 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.704 0.288 . . . . 0.0 111.006 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.39 -44.26 90.82 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.56 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.448 HG23 HG13 ' A' ' 47' ' ' ILE . 27.4 m -80.91 -47.76 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.448 HG13 HG23 ' A' ' 46' ' ' VAL . 83.0 mt -68.11 -37.31 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -173.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -93.53 -32.39 14.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.877 0.37 . . . . 0.0 110.831 -176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.48 -55.89 0.88 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.935 -170.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 26' ' ' LEU . 90.9 mt -105.31 -76.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -164.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.498 HD13 ' HB3' ' A' ' 55' ' ' GLU . 1.7 pp -143.51 -175.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -165.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 p -83.56 177.9 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.241 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.496 ' HG ' ' HE2' ' A' ' 57' ' ' LYS . 57.3 tp -61.54 -29.74 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.609 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.28 -55.53 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.759 0.314 . . . . 0.0 111.408 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.498 ' HB3' HD13 ' A' ' 51' ' ' ILE . 25.5 tp10 -65.22 -42.28 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.129 0.49 . . . . 0.0 110.17 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.5 -27.47 67.62 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.947 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' CA ' ' A' ' 61' ' ' GLY . 41.7 mtmt -83.56 -33.06 25.52 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.654 -0.819 . . . . 0.0 111.37 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.39 -39.72 92.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.889 0.376 . . . . 0.0 110.804 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.7 m -96.9 -53.53 3.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.591 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 39.6 m-85 -106.1 16.68 24.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.36 -171.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.656 ' CA ' ' HA ' ' A' ' 57' ' ' LYS . . . -62.17 -23.99 64.73 Favored Glycine 0 C--O 1.227 -0.343 0 CA-C-O 118.483 -1.176 . . . . 0.0 115.93 -166.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 32.05 -95.63 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.389 0.676 . . . . 0.0 112.382 -176.085 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 m -127.33 131.6 50.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.59 -42.46 88.13 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.122 0.487 . . . . 0.0 109.954 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 2.9 mp0 -53.3 -44.27 68.21 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.232 174.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.58 -51.32 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.443 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE1' HD13 ' A' ' 53' ' ' LEU . 21.3 t80 -57.85 -44.65 86.68 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.741 -177.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -65.41 -29.55 70.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.3 m -65.14 -37.03 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.612 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.485 ' HE3' HG13 ' A' ' 43' ' ' VAL . 32.7 m0 -64.5 -51.14 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.962 0.41 . . . . 0.0 109.923 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 87' ' ' LEU . 41.3 t -60.0 -39.3 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.3 m -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.71 -29.52 58.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.232 0.539 . . . . 0.0 110.517 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD21 HG23 ' A' ' 40' ' ' ILE . 92.5 mt -81.91 -6.56 59.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.772 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.41 -8.69 57.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.05 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.73 -58.67 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.477 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -154.56 131.28 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.427 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.24 24.4 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.741 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? 179.93 -41.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.894 0.378 . . . . 0.0 110.529 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -131.64 -57.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.703 -173.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 76.66 -18.57 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.658 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.36 -34.13 15.8 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.03 0.443 . . . . 0.0 110.527 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -83.61 9.65 11.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.45 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -68.29 117.42 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -54.27 -45.16 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.419 0.449 . . . . 0.0 112.122 -172.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.93 -31.88 66.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.869 0.366 . . . . 0.0 111.952 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.415 HD23 HG11 ' A' ' 71' ' ' VAL . 1.7 tm? -83.22 -47.17 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.72 -40.09 82.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.044 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -63.44 -46.91 84.13 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.317 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.603 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 79.8 t80 -56.14 -43.98 78.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.787 0.327 . . . . 0.0 110.527 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -73.33 -43.62 60.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 111.52 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.36 -32.57 64.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 111.009 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp -69.65 -31.9 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.6 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 78.0 mt -83.72 -10.55 58.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.093 0.473 . . . . 0.0 110.506 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -83.67 122.61 28.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.809 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -81.67 66.32 7.18 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 173.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 98' ' ' HIS . 1.6 t60 -68.34 -25.94 65.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.999 -168.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 97' ' ' HIS . 39.0 t-80 71.18 124.62 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.252 0.548 . . . . 0.0 111.168 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -85.17 158.25 20.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.67 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -147.91 174.88 11.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.461 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 C--O 1.246 0.884 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.541 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.146 0.498 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.1 mtt -109.76 -82.01 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.241 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 51.44 53.0 13.59 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.582 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -49.46 73.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.741 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -127.06 -75.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.118 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -159.95 162.72 34.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.769 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.5 t -82.12 70.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.743 0.782 . . . . 0.0 110.063 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -150.82 99.27 2.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.95 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.11 -45.27 1.14 Allowed Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.453 -172.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.15 78.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 123.067 2.512 . . . . 0.0 114.622 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 4.9 mmp_? -116.35 29.15 8.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 165.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.682 ' HB3' HG22 ' A' ' 22' ' ' THR . 4.0 p -99.65 174.14 6.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.71 -171.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.551 HG11 ' HA2' ' A' ' 49' ' ' GLY . 1.3 m -129.16 119.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.148 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.3 m -84.07 136.95 33.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.447 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.579 HD11 ' HE ' ' A' ' 44' ' ' ARG . 82.1 mt -94.96 153.12 39.94 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.126 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.13 -22.0 30.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.043 2.495 . . . . 0.0 112.347 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.95 -30.35 67.83 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.94 -13.47 26.76 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.388 -176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -90.51 139.81 30.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.912 0.387 . . . . 0.0 110.672 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.8 pt -99.38 153.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.056 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.574 ' HG3' ' HB2' ' A' ' 25' ' ' ASP . 33.6 ttm -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.929 0.395 . . . . 0.0 111.09 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 12' ' ' SER . 67.0 p -103.4 -179.86 4.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.258 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -69.79 -18.78 63.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.805 173.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.26 -28.07 42.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.574 ' HB2' ' HG3' ' A' ' 21' ' ' MET . 22.2 m-20 -76.68 -18.86 58.31 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.301 0.572 . . . . 0.0 109.915 178.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' HA3' ' A' ' 45' ' ' GLY . 96.1 mt -84.5 137.77 38.86 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.344 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.769 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 66.4 Cg_exo -44.08 122.75 3.76 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 123.856 3.038 . . . . 0.0 111.992 171.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 32.1 Cg_exo -59.47 -53.75 3.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.958 2.438 . . . . 0.0 112.383 -175.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.66 -53.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.046 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -82.39 -56.45 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.688 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.769 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 1.9 m 63.08 89.02 0.09 Allowed 'General case' 0 CA--C 1.53 0.179 0 O-C-N 123.664 0.603 . . . . 0.0 110.408 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 mtp-105 -84.37 21.64 1.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.926 -171.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.553 ' HG3' HG13 ' A' ' 35' ' ' VAL . 29.3 tpt180 -163.46 89.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.859 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -83.85 90.0 7.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.303 0.573 . . . . 0.0 110.911 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 33' ' ' ARG . 34.0 m -94.17 167.11 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.11 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -55.51 -45.03 77.13 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.478 0.486 . . . . 0.0 111.381 -176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -58.67 -41.64 86.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.256 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 42' ' ' VAL . 70.4 mtt-85 -73.2 -33.86 65.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.502 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 58.4 mtpt -58.57 -55.18 38.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.179 0.514 . . . . 0.0 110.032 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.631 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 57.5 mt -62.83 -37.11 78.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.312 177.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.13 79.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.356 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' ARG . 34.5 t -63.77 -54.3 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 121.223 -0.191 . . . . 0.0 110.844 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.95 -45.58 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -176.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -73.61 -28.35 61.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.485 177.494 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.63 ' N ' ' HD3' ' A' ' 44' ' ' ARG . . . -72.48 -39.56 56.34 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.382 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG23 HG13 ' A' ' 47' ' ' ILE . 33.4 m -83.53 -54.64 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.673 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.58 HG23 ' HB2' ' A' ' 90' ' ' TYR . 78.9 mt -64.77 -51.29 69.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 80.4 t80 -87.85 -19.67 27.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.138 -177.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.551 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -102.26 -75.12 1.08 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 114.774 -172.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.18 -75.81 0.6 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -161.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -123.38 174.94 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.096 0.474 . . . . 0.0 112.205 -167.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -78.0 167.66 21.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.68 -32.37 73.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.667 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.22 85.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.372 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.542 ' OE1' ' HB ' ' A' ' 51' ' ' ILE . 28.7 mt-10 -69.77 -40.67 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.547 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.1 -9.04 58.36 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.556 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 27.7 ttpp -94.99 -39.32 10.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.129 0.49 . . . . 0.0 110.294 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.29 -19.54 58.18 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.384 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.4 m -100.57 -66.36 0.91 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.502 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 90.8 m-85 -101.64 15.7 28.09 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -176.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -71.99 -14.72 76.13 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.574 -170.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.525 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 54.85 -92.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 124.037 0.492 . . . . 0.0 109.954 179.09 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.525 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 2.1 m -127.42 142.18 51.49 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 169.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.02 -61.3 1.94 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 68' ' ' ASN . 7.6 mm-40 -70.22 -29.29 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.717 0.294 . . . . 0.0 111.215 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 63' ' ' SER . 28.7 tt0 -58.2 -47.11 84.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.527 175.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.04 -42.04 63.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 0.0 109.742 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 65' ' ' GLU . 92.6 m-20 -61.04 -26.49 67.66 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.073 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 t -63.99 -32.77 74.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.314 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 28.9 m0 -71.52 -43.24 66.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.4 t -66.95 -41.81 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.674 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 p -69.33 -24.7 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.628 0.251 . . . . 0.0 111.129 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.65 -33.33 64.44 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.17 -14.3 53.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.868 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HA ' HG11 ' A' ' 84' ' ' VAL . . . -78.92 -22.89 45.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.495 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 69.96 -66.98 0.25 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 124.162 0.913 . . . . 0.0 110.916 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.67 -20.22 20.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -176.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.5 -79.39 1.56 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.692 173.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 81' ' ' ALA . 85.0 tttt -69.08 -24.34 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.109 0.48 . . . . 0.0 111.095 -173.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.4 m-20 -78.52 32.62 0.19 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.392 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.522 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -60.72 -17.32 47.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.774 -175.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.95 -23.29 61.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.173 0.511 . . . . 0.0 110.538 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -107.44 -3.28 19.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.243 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.4 t -76.27 124.77 35.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.297 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 7.1 m -49.34 -57.42 6.9 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.63 0.581 . . . . 0.0 112.219 -175.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.31 74.82 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.473 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 2.1 tm? -84.79 -40.07 17.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -174.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -59.35 -37.02 76.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.143 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 85' ' ' THR . 71.2 mmtt -64.69 -47.14 79.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.58 ' HB2' HG23 ' A' ' 47' ' ' ILE . 71.1 t80 -61.08 -49.28 77.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.448 -177.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.8 -36.25 72.92 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.187 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -64.83 -39.43 93.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.271 0.557 . . . . 0.0 109.738 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.89 -20.93 60.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.869 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.11 -25.36 52.1 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.016 0.436 . . . . 0.0 110.505 176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.51 -122.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 97' ' ' HIS . 35.7 p-80 -171.08 -65.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 170.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 96' ' ' HIS . 37.3 m80 -168.25 85.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -174.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -144.75 135.99 25.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.102 -177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -111.91 171.5 7.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.916 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -150.6 85.86 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.226 0.536 . . . . 0.0 110.12 174.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 85.9 t60 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.796 -178.695 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.754 0.312 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.2 ptp -94.94 12.54 27.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.878 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 66.74 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.313 -174.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.7 tp 179.11 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 5' ' ' ARG . 46.1 ttm180 -85.12 -21.42 29.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.918 -178.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 41.3 mtpt 70.67 131.86 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.564 -176.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.3 t -97.52 86.84 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.666 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -126.83 7.89 6.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.162 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 10' ' ' PRO . . . -154.61 -61.54 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.828 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 9' ' ' GLY . 2.2 Cg_endo -48.03 104.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.748 2.965 . . . . 0.0 114.026 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 22' ' ' THR . 2.7 mpp_? 62.2 7.61 2.3 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.322 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.453 ' HB3' HG22 ' A' ' 22' ' ' THR . 55.8 p -118.86 113.13 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -103.98 136.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.861 0.362 . . . . 0.0 110.459 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.5 m -97.97 107.5 19.99 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD11 ' SD ' ' A' ' 21' ' ' MET . 76.9 mt -71.19 158.62 87.7 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.433 -177.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.28 -3.22 9.54 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.8 2.333 . . . . 0.0 110.616 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -69.94 -41.29 74.76 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.096 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.17 -30.29 6.61 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 m -79.8 145.8 32.62 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.126 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 pt -100.39 148.19 7.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.148 176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.507 ' SD ' HD11 ' A' ' 15' ' ' LEU . 83.3 mtp -127.81 121.26 29.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.027 0.441 . . . . 0.0 110.682 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.453 HG22 ' HB3' ' A' ' 12' ' ' SER . 71.8 p -103.98 -178.24 3.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.844 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 3.1 tmt_? -60.54 -24.85 65.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.637 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.64 -10.53 24.89 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.38 -33.02 60.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.662 0.268 . . . . 0.0 111.243 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 pp -86.3 158.07 55.48 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.631 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.448 ' CB ' ' HB ' ' A' ' 31' ' ' THR . 38.2 Cg_endo -83.22 107.06 1.43 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.894 2.396 . . . . 0.0 111.877 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.851 ' HA ' ' HE1' ' A' ' 60' ' ' TYR . 6.0 Cg_exo -78.48 63.25 8.41 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.483 2.789 . . . . 0.0 112.051 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.98 -54.52 0.66 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.728 0.811 . . . . 0.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -95.54 75.06 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.566 0.698 . . . . 0.0 109.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 27' ' ' PRO . 13.1 t -91.71 177.95 6.06 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.988 171.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.62 -47.25 19.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.838 0.351 . . . . 0.0 110.454 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 52.9 ttt180 -148.02 128.52 14.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.756 0.312 . . . . 0.0 110.671 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.97 71.87 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.629 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.3 m -77.75 163.79 3.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.061 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . . . -56.02 -40.29 73.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 0.0 111.218 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.3 m -58.71 -39.17 80.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.438 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 42' ' ' VAL . 90.1 mtt-85 -76.37 -34.11 58.91 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.889 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HD2' ' HA ' ' A' ' 36' ' ' ALA . 67.0 mttm -57.75 -50.29 73.73 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.368 0.604 . . . . 0.0 110.002 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.29 -36.31 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.659 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.43 80.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.291 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 38' ' ' ARG . 36.1 t -61.93 -55.73 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.425 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.2 OUTLIER -63.07 -32.62 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.909 -177.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.24 -53.22 52.46 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.112 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.22 -41.73 94.63 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 113.506 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 HG13 ' A' ' 47' ' ' ILE . 27.9 m -71.68 -57.04 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 117.346 0.573 . . . . 0.0 111.218 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.597 HG13 HG23 ' A' ' 46' ' ' VAL . 67.9 mt -67.9 -56.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 111.612 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -77.93 -26.61 49.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.327 -174.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.21 -65.17 0.81 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.304 -0.95 . . . . 0.0 114.873 -170.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.5 mt -105.68 -74.18 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -162.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -125.48 177.26 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.415 0.626 . . . . 0.0 112.627 -163.628 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 p -82.74 173.19 12.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.26 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.83 -26.57 68.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.38 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.71 80.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.244 0.545 . . . . 0.0 110.853 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.531 ' HB2' HG13 ' A' ' 51' ' ' ILE . 16.9 mm-40 -68.12 -45.97 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.28 -12.31 61.5 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.073 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 26.7 ttpp -88.81 -40.15 13.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.083 0.468 . . . . 0.0 109.803 176.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -62.6 -46.29 88.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.646 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.2 m -92.78 -51.04 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.851 ' HE1' ' HA ' ' A' ' 28' ' ' PRO . 52.0 m-85 -105.8 16.09 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -172.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.98 -30.45 77.05 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.984 -0.627 . . . . 0.0 113.962 -172.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 44.52 -96.02 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.214 0.606 . . . . 0.0 111.32 -177.151 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 18.3 m -134.05 144.44 48.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -62.81 -34.09 76.58 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.76 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -60.79 -48.31 82.38 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.419 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -60.06 -51.9 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.739 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.25 -42.45 96.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.827 0.346 . . . . 0.0 110.828 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -64.2 -33.34 75.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.9 p -62.33 -34.58 76.91 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.305 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.425 ' HE3' HG13 ' A' ' 43' ' ' VAL . 28.5 m0 -67.77 -53.59 25.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.034 0.445 . . . . 0.0 109.923 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.35 -44.39 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.507 -174.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.1 p -69.1 -31.03 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.276 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.61 -27.5 62.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.093 0.473 . . . . 0.0 110.174 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.24 -27.96 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.924 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 77' ' ' HIS . . . -89.62 -25.59 21.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.003 -177.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 71.88 -11.42 0.76 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.202 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' A' ' 75' ' ' ALA . 62.0 m-70 -135.86 117.01 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.59 60.14 0.68 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.625 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.487 ' HB2' ' HE3' ' A' ' 79' ' ' LYS . 22.6 mtmt -127.04 -67.03 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.577 0.703 . . . . 0.0 110.052 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 82' ' ' LEU . 1.7 m-20 -62.08 -29.27 70.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.58 -175.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.03 -31.51 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.131 0.972 . . . . 0.0 110.527 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 80' ' ' ASP . 95.4 mt -86.24 -11.92 51.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.849 177.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -101.39 10.14 40.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.151 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 60.0 t -86.56 113.7 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.3 m -43.56 -58.23 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.19 -20.22 60.28 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -89.34 -42.11 11.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -174.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -60.15 -39.46 86.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -72.01 -36.39 69.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.652 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.468 ' O ' HD13 ' A' ' 94' ' ' LEU . 61.0 t80 -67.65 -13.81 62.41 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.441 0.639 . . . . 0.0 110.327 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 91' ' ' ARG . 14.6 mmm180 -97.38 -51.1 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 175.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.94 -32.27 71.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.94 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.21 -27.08 68.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.128 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 90' ' ' TYR . 11.3 mp -88.87 13.4 12.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.908 -173.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -64.77 104.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -72.46 -27.4 62.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.492 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -89.47 73.56 7.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.359 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -80.56 -2.09 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.691 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -68.54 -40.19 80.8 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 173.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.44 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 2.0 t-160 49.6 -92.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 O-C-N 124.538 1.149 . . . . 0.0 111.937 173.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 8.9 p80 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 119.078 -0.487 . . . . 0.0 110.271 174.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -88.35 156.62 19.06 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -74.44 130.93 40.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.13 173.7 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.163 -176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -83.57 55.05 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.079 0.942 . . . . 0.0 110.994 -174.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -127.69 9.87 6.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.144 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.04 22.98 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.218 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -62.38 -30.68 71.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.697 0.76 . . . . 0.0 109.265 176.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.52 72.6 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.49 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.93 -19.18 24.73 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.339 2.693 . . . . 0.0 114.171 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' ' 11' ' ' ARG . 12.7 tpt180 -79.19 62.99 3.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.471 ' OG ' ' HB ' ' A' ' 22' ' ' THR . 22.8 m -113.26 152.84 29.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -175.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -101.86 138.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.637 173.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -101.45 117.74 35.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD13 ' HD3' ' A' ' 44' ' ' ARG . 64.5 mt -80.31 144.96 58.86 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.829 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.21 -7.16 11.29 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.011 2.474 . . . . 0.0 112.682 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -20.34 50.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.227 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.61 53.68 1.3 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.646 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 t -157.16 147.33 20.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.8 pt -111.67 143.04 22.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 0.0 111.046 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.4 ' HE1' ' HB1' ' A' ' 41' ' ' ALA . 80.4 mtp -135.3 143.6 46.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.97 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 24' ' ' ALA . 8.8 t -142.54 -177.31 5.22 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 175.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -62.57 -5.47 2.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -175.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' H ' HG23 ' A' ' 22' ' ' THR . . . -94.23 -13.22 26.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.989 0.423 . . . . 0.0 110.897 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -99.18 -0.03 42.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -82.96 139.44 42.86 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.202 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HG2' HG22 ' A' ' 42' ' ' VAL . 85.5 Cg_exo -51.28 116.24 2.56 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.057 2.505 . . . . 0.0 111.816 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 24.6 Cg_exo -65.92 73.49 0.33 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.419 2.746 . . . . 0.0 113.175 -178.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.8 -72.34 0.07 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.836 176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -97.77 -28.44 13.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.685 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.84 HG22 ' H ' ' A' ' 32' ' ' ARG . 2.6 m 62.52 -166.71 0.22 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -177.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.84 ' H ' HG22 ' A' ' 31' ' ' THR . 64.7 mmt-85 -118.96 -62.03 1.57 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -123.55 130.87 53.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.929 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -92.23 83.58 5.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.057 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 38' ' ' ARG . 27.7 m -72.87 157.23 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.811 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.16 -46.02 68.71 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.3 0.375 . . . . 0.0 111.446 -175.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -61.73 -33.7 74.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.065 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 42' ' ' VAL . 20.0 ttm180 -79.06 -32.06 44.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.918 -177.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 22.0 mtpp -63.4 -50.35 70.2 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 43' ' ' VAL . 74.1 mt -61.6 -33.12 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.273 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB1' ' HE1' ' A' ' 21' ' ' MET . . . -64.5 -29.93 70.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.098 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 38' ' ' ARG . 12.5 t -69.33 -51.16 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -63.72 -36.92 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.444 178.542 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' HD3' HD13 ' A' ' 15' ' ' LEU . 72.7 mtt-85 -66.28 -47.46 73.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.608 175.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.22 94.18 Favored Glycine 0 C--O 1.229 -0.217 0 CA-C-N 115.615 -0.72 . . . . 0.0 113.634 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 47' ' ' ILE . 25.0 m -81.05 -61.28 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 117.39 0.595 . . . . 0.0 111.131 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.553 HG13 HG23 ' A' ' 46' ' ' VAL . 80.2 mt -60.82 -51.4 73.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -171.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -90.01 -20.25 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 110.469 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.84 -74.33 1.08 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.294 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -105.4 -76.43 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -163.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.579 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -129.62 174.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.24 0.543 . . . . 0.0 112.151 -166.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -79.64 167.38 20.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 53.2 tp -62.14 -27.37 68.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.271 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -57.93 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HB3' HG13 ' A' ' 51' ' ' ILE . 45.0 tt0 -61.04 -38.15 85.14 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' TYR . . . -62.49 -40.03 95.36 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.138 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 96.4 mttt -57.86 -50.04 74.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 118.368 0.531 . . . . 0.0 111.008 177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -58.17 -42.71 86.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.287 -175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.4 m -101.33 -51.79 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.638 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.2 m-85 -105.9 17.35 23.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -171.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.479 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -57.16 -23.54 47.59 Favored Glycine 0 C--O 1.227 -0.322 0 N-CA-C 115.533 0.973 . . . . 0.0 115.533 -169.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 40.34 -92.38 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.648 0.779 . . . . 0.0 112.272 -175.112 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -147.36 147.06 29.92 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.46 -35.37 80.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.682 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -58.47 -50.68 72.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.02 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 48.5 t80 -63.32 -39.77 95.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.69 -38.66 85.72 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.397 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -63.77 -32.14 73.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.545 0.212 . . . . 0.0 110.889 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.456 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 29.7 m0 -70.35 -49.43 49.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 37.3 t -65.97 -35.76 75.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.658 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -62.89 -34.91 78.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.181 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.105 0.478 . . . . 0.0 110.364 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.42 HD11 HG23 ' A' ' 40' ' ' ILE . 97.0 mt -75.43 -32.53 60.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.817 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.85 5.38 44.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 79' ' ' LYS . 32.4 tt0 53.35 54.47 10.13 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.775 0.672 . . . . 0.0 110.547 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 71.8 10.71 6.3 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.212 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.65 53.94 2.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 76' ' ' GLU . 14.4 ptmm? -64.47 -26.21 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 111.437 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -161.54 -41.43 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.537 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 65.4 12.73 8.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.605 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.5 mt -120.28 -28.34 5.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -97.27 -14.22 21.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.948 0.404 . . . . 0.0 110.278 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.77 117.39 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.345 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.3 m -48.12 -56.16 8.51 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -173.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.11 70.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -44.94 10.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -174.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -56.15 -42.28 76.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.044 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.62 -48.09 56.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.35 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.549 ' O ' HD13 ' A' ' 94' ' ' LEU . 32.2 t80 -65.77 -21.21 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 91' ' ' ARG . 41.5 ttt-85 -92.26 -45.06 8.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.877 0.37 . . . . 0.0 110.565 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.47 -34.28 60.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.545 -175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.08 -24.81 68.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.993 0.425 . . . . 0.0 111.354 -176.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 90' ' ' TYR . 10.9 mp -78.46 -5.33 52.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.121 -178.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -103.84 34.74 2.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.064 0.459 . . . . 0.0 110.226 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -55.05 -27.91 48.21 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.685 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -115.21 73.24 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.231 0.539 . . . . 0.0 109.761 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -76.92 -65.54 0.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.0 t60 69.8 -53.58 0.61 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.89 0.876 . . . . 0.0 112.275 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.84 131.91 45.17 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.485 0.314 . . . . 0.0 110.214 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.848 179.88 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.663 0.268 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.0 ttt -89.49 122.96 33.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.791 0.329 . . . . 0.0 111.357 -173.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -123.63 -69.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.498 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.5 mt 66.19 2.51 2.36 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.37 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 5' ' ' ARG . 21.8 mtp180 61.3 26.94 16.69 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.623 0.369 . . . . 0.0 111.942 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -118.36 14.81 13.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.537 ' O ' ' HD2' ' A' ' 10' ' ' PRO . 32.3 t -91.37 115.23 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.777 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.23 94.27 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.164 0.507 . . . . 0.0 109.998 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.93 -60.06 0.19 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.627 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.537 ' HD2' ' O ' ' A' ' 7' ' ' VAL . 6.2 Cg_exo -73.11 71.56 3.54 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.964 2.443 . . . . 0.0 111.791 175.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -93.35 16.0 14.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.647 0.736 . . . . 0.0 109.886 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -134.41 146.26 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.174 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG11 ' HA2' ' A' ' 49' ' ' GLY . 24.0 m -111.72 151.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.791 0.329 . . . . 0.0 111.299 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -109.73 118.31 36.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.821 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD13 ' HD3' ' A' ' 44' ' ' ARG . 43.8 mt -81.96 151.95 67.91 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.042 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.61 -0.46 3.75 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.769 2.313 . . . . 0.0 111.566 174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -76.27 -22.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.002 174.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.8 -7.73 61.14 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.518 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 m -103.3 151.91 22.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.8 pt -99.12 164.98 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 121.011 -0.276 . . . . 0.0 110.258 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 78.8 mmm -134.31 129.62 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.25 0.548 . . . . 0.0 109.969 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -136.79 175.01 10.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.108 -176.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' H ' HG22 ' A' ' 22' ' ' THR . 60.2 mtp180 -74.33 57.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 111.015 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 -38.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.375 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.73 13.37 20.38 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.932 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -90.82 114.55 61.79 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.843 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.543 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 69.1 Cg_exo -46.13 113.03 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.675 2.917 . . . . 0.0 112.73 177.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 4.8 Cg_exo -75.69 56.81 4.77 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.517 2.811 . . . . 0.0 112.797 -176.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 72.85 -58.89 0.58 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.721 0.809 . . . . 0.0 112.117 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.403 HD22 ' HA ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -76.64 -65.81 0.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.458 -179.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.543 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 3.8 m 60.51 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.769 0.668 . . . . 0.0 111.667 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 34.9 ptt85 -66.85 110.37 3.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.018 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HD3' HH11 ' A' ' 33' ' ' ARG . 28.8 ttt-85 68.67 91.06 0.09 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.437 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.45 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 41.3 m95 -70.47 92.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.607 177.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 m -83.36 165.63 2.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.01 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.332 0.395 . . . . 0.0 111.119 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 t -59.87 -36.29 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.787 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.806 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -72.33 -47.13 52.1 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 178.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.02 -51.18 70.74 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.313 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.13 -34.72 70.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.89 76.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 38' ' ' ARG . 24.1 t -65.11 -58.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.658 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.464 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -57.67 -42.06 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -177.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' HD3' HD13 ' A' ' 15' ' ' LEU . 99.6 mtt180 -68.99 -42.71 76.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.72 0.295 . . . . 0.0 110.7 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 49' ' ' GLY . . . -69.28 -35.59 77.16 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.648 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -85.02 -55.99 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 117.6 0.7 . . . . 0.0 111.4 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' N ' HG23 ' A' ' 46' ' ' VAL . 76.7 mt -62.72 -48.77 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 O-C-N 123.351 0.407 . . . . 0.0 111.88 -172.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -97.28 -9.19 28.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.314 0.578 . . . . 0.0 110.231 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.561 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.44 -75.74 1.15 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.456 -0.878 . . . . 0.0 114.34 -173.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.32 -75.54 0.63 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -165.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.73 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -120.82 -179.27 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.759 -166.356 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.1 p -77.5 168.55 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.606 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 45.3 tp -66.73 -35.83 81.05 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.795 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 58' ' ' GLN . . . -60.36 -40.25 90.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.662 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 21.0 tp10 -64.95 -46.16 82.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.32 0.581 . . . . 0.0 110.1 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.35 -2.5 25.48 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.216 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.873 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 55.9 mtpt -93.91 -36.71 12.07 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 54' ' ' ALA . 76.5 mt-30 -59.84 -41.46 91.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -100.27 -51.91 3.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.743 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m-85 -107.62 19.12 20.6 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.274 -0.393 . . . . 0.0 111.88 -169.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.873 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -35.86 -34.75 0.08 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 116.643 1.417 . . . . 0.0 116.643 -171.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 2.9 mt 58.94 -149.76 0.45 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 117.336 0.568 . . . . 0.0 110.446 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 m -111.38 148.8 32.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.199 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.56 -51.52 62.67 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.953 0.406 . . . . 0.0 110.511 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.86 -39.82 86.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.317 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.49 -53.99 49.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.531 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 58.5 t80 -64.38 -36.75 85.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.956 0.408 . . . . 0.0 110.129 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.21 -42.47 91.03 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.953 177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.7 p -63.19 -37.74 88.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.261 -175.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.464 ' HE3' HG13 ' A' ' 43' ' ' VAL . 34.7 m0 -63.94 -54.89 27.5 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.118 0.485 . . . . 0.0 110.573 -176.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -66.24 -38.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.137 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.8 m -67.12 -31.69 72.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.628 0.251 . . . . 0.0 111.266 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.61 60.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 109.924 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 96.7 mt -77.04 -23.15 52.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.687 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.509 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 73.36 -43.37 0.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 110.569 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 80' ' ' ASP . 3.3 p-80 -130.03 118.47 21.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.51 -10.74 79.76 Favored Glycine 0 N--CA 1.454 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.56 -70.21 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.486 0.66 . . . . 0.0 110.727 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 83' ' ' LYS . 4.1 m-20 -85.09 60.17 6.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.531 -175.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -23.19 66.12 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.391 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp -87.8 -6.94 57.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.438 0.637 . . . . 0.0 110.197 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 34.6 ttmt -99.98 0.15 40.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.715 0.769 . . . . 0.0 109.583 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.9 t -82.86 123.43 38.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.635 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 p -50.83 -45.8 59.74 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.07 84.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.979 0.418 . . . . 0.0 111.843 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 87' ' ' LEU . 3.3 tm? -87.35 -40.09 14.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -58.19 -37.14 74.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.569 175.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.21 -50.04 67.39 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.553 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' O ' HD13 ' A' ' 94' ' ' LEU . 43.8 t80 -61.15 -44.89 96.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -66.19 -39.0 89.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.217 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -80.68 -33.91 35.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.043 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.03 -27.73 69.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.336 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 90' ' ' TYR . 8.0 mp -64.68 -39.75 94.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.22 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 70.39 -45.42 0.59 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.874 0.87 . . . . 0.0 112.56 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -47.92 112.64 0.59 Allowed 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.974 0.51 . . . . 0.0 111.938 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -59.24 127.44 32.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.998 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -68.67 87.36 0.33 Allowed 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.753 0.787 . . . . 0.0 112.12 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -171.44 37.98 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 175.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.72 -41.09 61.26 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.559 -172.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.489 -179.527 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.578 0.227 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.1 ttt -173.54 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -110.4 114.35 27.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.151 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.746 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.4 pt? -79.11 2.97 18.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.346 0.593 . . . . 0.0 110.178 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -83.42 -28.76 28.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.468 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -159.74 113.59 2.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.901 0.382 . . . . 0.0 111.524 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 10' ' ' PRO . 21.2 t -125.14 152.05 31.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 173.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.66 -43.89 87.99 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -175.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.64 60.2 0.42 Allowed Glycine 0 CA--C 1.522 0.485 0 C-N-CA 119.752 -1.214 . . . . 0.0 113.918 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 7' ' ' VAL . 36.4 Cg_endo -68.52 125.89 13.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.303 2.002 . . . . 0.0 112.26 173.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -83.65 85.87 7.21 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.799 0.809 . . . . 0.0 109.084 169.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 t -114.7 131.28 56.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.262 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.612 HG11 ' HA2' ' A' ' 49' ' ' GLY . 15.9 m -97.69 125.41 50.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 121.58 0.705 . . . . 0.0 110.89 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -86.9 104.6 16.39 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.65 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 17' ' ' ASP . 66.9 mt -66.05 153.8 91.06 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.739 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.26 41.94 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.254 2.636 . . . . 0.0 111.119 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 15' ' ' LEU . 24.1 t70 -135.45 -43.58 0.69 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.865 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.84 -26.03 4.08 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -80.73 150.46 29.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.404 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -116.46 140.42 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.493 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 71.6 mmm -124.9 150.63 46.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -157.9 179.33 9.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HA ' HD12 ' A' ' 26' ' ' LEU . 14.5 ttm-85 -65.61 -25.58 67.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.05 0.452 . . . . 0.0 110.511 -176.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -18.19 63.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.58 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.65 -12.47 17.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.179 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD21 ' HA3' ' A' ' 45' ' ' GLY . 85.4 mt -69.88 122.53 86.26 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 51.7 Cg_exo -57.35 118.55 5.44 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.72 2.28 . . . . 0.0 111.67 173.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.13 51.02 2.72 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.034 2.49 . . . . 0.0 112.206 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.12 -56.1 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.761 0.824 . . . . 0.0 111.028 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -104.58 53.89 0.73 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.321 0.582 . . . . 0.0 110.57 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 10.4 t -68.96 165.06 20.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.718 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -92.92 124.43 36.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.485 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.7 mmp_? 61.89 87.11 0.1 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.291 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -69.01 120.85 15.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.068 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.452 HG23 ' H ' ' A' ' 38' ' ' ARG . 22.4 m -121.22 160.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . . . -53.84 -46.06 71.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.886 0.374 . . . . 0.0 111.672 -176.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.8 m -68.46 -25.1 64.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.66 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.1 ttm-85 -75.39 -38.04 60.19 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 36' ' ' ALA . 21.3 mtpp -59.65 -48.03 83.28 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.704 0.764 . . . . 0.0 109.598 175.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.55 HG23 HD21 ' A' ' 74' ' ' LEU . 84.1 mt -61.7 -37.44 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.886 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.48 78.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 38' ' ' ARG . 22.0 t -61.91 -58.46 7.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.462 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.1 OUTLIER -61.83 -31.82 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -178.415 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.21 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.003 0.43 . . . . 0.0 110.296 173.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.562 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -71.83 -27.0 71.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.853 -174.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.645 HG23 HG13 ' A' ' 47' ' ' ILE . 16.2 m -82.1 -63.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 117.775 0.787 . . . . 0.0 110.888 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.645 HG13 HG23 ' A' ' 46' ' ' VAL . 71.8 mt -60.96 -50.4 80.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 O-C-N 123.647 0.592 . . . . 0.0 112.025 -171.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -97.09 -8.21 30.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.052 0.453 . . . . 0.0 110.229 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.612 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -100.98 -75.83 1.17 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.964 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mp -106.82 -76.31 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -169.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 pp -118.15 -176.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -165.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 170.09 10.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.979 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.797 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.64 76.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.123 0.487 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -64.79 -48.41 74.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.814 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.36 68.3 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.177 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 16.3 ttpp -85.43 -42.88 14.1 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.623 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -68.82 -29.54 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.64 0.257 . . . . 0.0 111.102 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -100.06 -56.69 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.484 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 36.7 m-85 -105.54 16.6 25.2 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -173.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.434 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -60.97 -26.88 66.18 Favored Glycine 0 C--O 1.228 -0.269 0 N-CA-C 115.018 0.767 . . . . 0.0 115.018 -170.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.518 ' HB2' ' H ' ' A' ' 63' ' ' SER . 0.0 OUTLIER 49.68 -90.64 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.453 0.701 . . . . 0.0 110.966 -176.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 13.5 t -137.42 144.22 42.27 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 174.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.65 -42.45 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.168 0.509 . . . . 0.0 109.795 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.18 -46.48 86.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.858 177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -56.96 -54.89 41.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.65 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -63.17 -41.94 99.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.162 -174.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -70.49 -20.56 62.84 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.918 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -71.87 -30.14 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.39 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.448 ' HE3' HG13 ' A' ' 43' ' ' VAL . 24.9 m0 -69.09 -45.67 69.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.1 t -66.2 -39.56 84.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.664 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -61.19 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.36 -28.92 67.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.158 0.504 . . . . 0.0 110.377 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD21 HG23 ' A' ' 40' ' ' ILE . 96.1 mt -87.37 -7.21 58.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.418 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB2' HG13 ' A' ' 84' ' ' VAL . . . -99.87 -17.15 17.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.041 174.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 72.83 -49.75 0.7 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.23 0.956 . . . . 0.0 111.22 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -127.24 111.0 13.45 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.125 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.91 -103.52 0.73 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp 70.83 -60.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.503 0.721 . . . . 0.0 111.886 172.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -85.24 -37.28 20.24 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 77.3 -10.29 1.38 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.16 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -100.16 -37.58 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.933 0.397 . . . . 0.0 110.194 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -86.93 20.52 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.15 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' A' ' 75' ' ' ALA . 92.7 t -60.94 120.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 176.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.7 m -48.04 -53.13 17.33 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.07 -19.52 59.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -91.14 -42.67 10.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -175.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.07 -37.97 87.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.214 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -73.09 -36.47 66.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.705 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.566 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 46.1 t80 -61.03 -45.0 96.56 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 87' ' ' LEU . 9.6 mmm180 -58.68 -53.48 57.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.032 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.58 -32.08 73.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 78.1 mt -66.37 -65.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.207 178.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER 59.87 -173.44 0.11 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -171.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.43 ' H ' ' CD ' ' A' ' 95' ' ' GLU . 39.6 m-70 62.09 96.23 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.719 0.295 . . . . 0.0 110.999 177.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -62.66 -43.75 98.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.45 ' HB3' ' H ' ' A' ' 99' ' ' HIS . 4.2 t60 54.31 -97.52 0.07 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.912 0.757 . . . . 0.0 111.01 173.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.45 ' H ' ' HB3' ' A' ' 98' ' ' HIS . 25.6 m170 -140.15 18.58 2.43 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -104.28 138.8 40.2 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.19 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.5 t60 . . . . . 0 C--O 1.24 0.589 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.363 172.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.9 ttt . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.009 0.433 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.5 ptm -89.89 18.0 6.15 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.065 -0.397 . . . . 0.0 111.153 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -67.88 131.09 44.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -74.5 123.58 25.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.42 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 67.59 -108.85 0.11 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.292 177.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -152.37 171.95 17.24 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.5 28.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.559 0.695 . . . . 0.0 109.86 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -93.12 97.13 10.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.402 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.37 53.35 4.15 Favored Glycine 0 CA--C 1.523 0.589 0 CA-C-N 115.533 -0.758 . . . . 0.0 113.738 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -80.96 79.35 3.33 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.999 1.799 . . . . 0.0 111.194 174.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -68.42 -18.41 64.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.838 -173.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -71.81 109.93 6.0 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -72.76 129.75 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.406 0.622 . . . . 0.0 111.398 -173.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -98.42 108.26 20.92 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.124 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.95 154.62 88.85 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.05 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -62.04 -5.9 7.07 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.821 2.347 . . . . 0.0 112.023 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -44.74 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.65 175.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 127.9 -24.03 5.2 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.055 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 t -80.16 137.15 36.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.839 0.352 . . . . 0.0 110.326 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.6 pp -98.76 144.04 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 177.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.6 mtp -124.54 133.4 53.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -111.22 -179.34 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.519 174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.723 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -81.87 8.26 10.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.765 0.793 . . . . 0.0 109.446 177.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.76 -27.64 17.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.786 171.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -78.25 -36.67 46.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.849 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.12 124.48 86.93 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.644 -179.634 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.592 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 82.4 Cg_exo -50.15 132.85 34.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.14 2.56 . . . . 0.0 113.198 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 76.4 Cg_exo -52.3 -53.95 6.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.092 2.528 . . . . 0.0 112.469 177.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.48 -48.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.821 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.597 ' O ' HG22 ' A' ' 31' ' ' THR . 28.7 p-10 -128.89 0.68 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.835 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 30' ' ' ASN . 2.7 t 60.21 -53.96 0.08 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.2 1.4 . . . . 0.0 112.554 -174.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER 175.88 -61.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 33' ' ' ARG . 42.7 ttm180 -139.75 2.77 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.468 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.551 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 76.5 m95 64.83 95.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.208 -177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m -88.31 145.85 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 170.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.99 -48.03 67.77 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.324 0.39 . . . . 0.0 111.752 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m -57.68 -33.28 68.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.861 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.1 ttt180 -85.23 -24.35 27.87 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.924 -176.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' ' 34' ' ' TRP . 63.0 mttm -60.45 -49.1 78.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.599 0.714 . . . . 0.0 109.249 170.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.52 -34.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.666 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.28 -32.37 73.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' ARG . 23.6 t -64.86 -54.85 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.571 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG12 ' CZ ' ' A' ' 67' ' ' PHE . 1.0 OUTLIER -59.01 -38.3 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.392 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -69.78 -42.63 73.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.34 97.43 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.241 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.634 HG23 HG13 ' A' ' 47' ' ' ILE . 17.5 m -82.92 -62.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.332 0.566 . . . . 0.0 111.66 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.634 HG13 HG23 ' A' ' 46' ' ' VAL . 69.5 mt -62.93 -35.67 72.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 111.99 -170.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 40.7 t80 -97.45 -26.73 14.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.329 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -100.64 -70.93 0.93 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.838 -0.696 . . . . 0.0 114.508 -172.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 mp -105.56 -75.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -166.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 55' ' ' GLU . 29.2 pt -121.52 164.17 18.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -166.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 p -80.82 -178.82 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.513 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.636 ' O ' ' HB2' ' A' ' 57' ' ' LYS . 51.8 tp -75.41 -7.94 55.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.013 0.435 . . . . 0.0 110.304 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 -60.82 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.873 0.368 . . . . 0.0 110.181 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.481 ' HB3' HD12 ' A' ' 51' ' ' ILE . 9.4 tp10 -66.96 -38.36 85.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.275 0.56 . . . . 0.0 109.973 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -68.5 -13.07 62.07 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.512 178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.669 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 3.4 ttmp? -87.97 -43.3 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.247 0.546 . . . . 0.0 109.643 175.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -62.69 -38.51 90.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.94 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 -50.62 3.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.06 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.685 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.2 m-85 -108.24 18.06 21.51 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -171.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -44.7 -38.75 5.71 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 -168.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER 51.44 -99.84 0.08 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.573 0.702 . . . . 0.0 109.469 -173.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 57.9 m -156.31 146.03 20.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 169.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -55.21 -36.31 65.83 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 117.867 0.303 . . . . 0.0 110.785 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.47 -42.67 95.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.772 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.3 -51.48 69.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.054 0.454 . . . . 0.0 109.853 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CZ ' HG12 ' A' ' 43' ' ' VAL . 53.0 t80 -64.16 -46.53 83.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.318 -174.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -70.42 -22.87 62.68 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.209 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.2 m -65.91 -30.47 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.711 0.291 . . . . 0.0 110.495 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.454 ' HE3' HG13 ' A' ' 43' ' ' VAL . 25.3 m0 -68.75 -45.51 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.256 0.551 . . . . 0.0 109.572 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG11 HD23 ' A' ' 87' ' ' LEU . 45.4 t -68.21 -42.05 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.554 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 m -63.81 -29.37 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.579 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.32 -32.23 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.317 0.58 . . . . 0.0 109.891 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.88 -29.39 55.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.548 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -74.23 -28.83 61.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.559 177.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 7.7 tp10 69.75 -68.25 0.2 Allowed 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.207 0.942 . . . . 0.0 110.653 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -104.52 129.39 52.57 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.921 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.45 69.91 2.92 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -141.65 -80.6 0.24 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.85 0.357 . . . . 0.0 110.3 -176.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.41 65.54 7.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.645 0.736 . . . . 0.0 110.719 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -13.65 62.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.481 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' O ' ' HD2' ' A' ' 88' ' ' LYS . 77.4 mt -79.25 -6.13 55.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.579 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -102.0 -10.76 19.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.273 0.559 . . . . 0.0 110.085 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.3 114.26 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.832 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -49.3 -49.12 45.21 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.699 0.624 . . . . 0.0 112.547 -175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.49 -30.73 66.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.6 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.558 HD23 HG11 ' A' ' 71' ' ' VAL . 1.5 tm? -83.02 -45.03 14.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' A' ' 82' ' ' LEU . 87.3 tttt -62.59 -34.15 76.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.522 177.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' A' ' 48' ' ' TYR . 57.0 tttm -58.1 -58.56 7.88 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.675 176.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.412 ' O ' HD13 ' A' ' 94' ' ' LEU . 8.9 t80 -65.09 -40.8 95.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.754 0.658 . . . . 0.0 111.211 -175.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -67.3 -40.08 86.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.953 -177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 6.2 tp-100 -82.6 -15.0 53.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.483 0.658 . . . . 0.0 110.242 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.2 tp -78.25 -10.42 59.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.245 0.545 . . . . 0.0 110.487 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 90' ' ' TYR . 8.5 mp -96.18 44.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.169 177.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.593 ' HG3' ' O ' ' A' ' 92' ' ' GLN . 47.1 mt-10 -67.95 -16.83 64.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.018 0.437 . . . . 0.0 111.113 178.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -81.6 50.9 1.57 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.401 0.62 . . . . 0.0 110.772 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -152.5 141.15 20.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.089 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -88.76 153.17 21.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 110.736 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -77.74 168.35 20.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.775 -177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -81.62 122.41 27.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.437 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.03 178.739 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.642 0.258 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -119.69 -11.96 9.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.547 0.213 . . . . 0.0 111.468 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.7 t80 65.41 -172.01 0.19 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.35 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.7 mt -90.03 11.45 20.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.336 -0.228 . . . . 0.0 111.155 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 62.3 19.25 10.89 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.084 0.468 . . . . 0.0 112.055 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -126.57 81.39 2.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.019 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.71 112.96 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.53 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -86.12 -5.47 59.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.905 0.384 . . . . 0.0 111.384 -174.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.99 -61.07 5.16 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.876 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -65.89 104.91 0.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.6 2.2 . . . . 0.0 111.994 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -99.92 18.75 17.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.515 0.674 . . . . 0.0 109.233 174.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 21' ' ' MET . 1.1 m -69.86 104.25 2.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.699 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.58 123.99 42.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.496 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.2 m -76.05 107.96 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.611 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 44' ' ' ARG . 43.1 mt -76.86 141.29 68.01 Favored Pre-proline 0 N--CA 1.445 -0.713 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 34.5 Cg_exo -61.12 -9.0 11.18 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.9 2.4 . . . . 0.0 112.549 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.24 -17.37 59.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.138 0.494 . . . . 0.0 109.884 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.47 46.9 2.07 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.296 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.7 m -152.17 145.54 24.77 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 pt -107.02 117.37 52.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.193 0.521 . . . . 0.0 110.332 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.503 ' O ' ' HA ' ' A' ' 12' ' ' SER . 94.6 mmm -93.92 134.84 35.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 70.3 p -115.55 173.71 6.39 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.239 178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 23' ' ' ARG . 43.0 ttp85 -67.29 -28.62 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.155 0.503 . . . . 0.0 110.207 178.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.18 -31.5 30.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.401 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.54 -30.7 64.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.728 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD21 ' HA3' ' A' ' 45' ' ' GLY . 93.9 mt -56.62 128.48 75.09 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.309 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.673 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.5 Cg_exo -48.7 110.66 0.36 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.2 2.6 . . . . 0.0 111.538 173.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.28 -47.99 24.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.06 2.507 . . . . 0.0 112.947 -173.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -178.7 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.5 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.618 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.673 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.6 m 68.82 137.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.952 0.782 . . . . 0.0 111.036 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -87.78 -32.28 19.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.92 0.39 . . . . 0.0 110.992 -175.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -138.77 112.26 8.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.585 0.707 . . . . 0.0 111.08 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.554 ' NE1' ' HB ' ' A' ' 31' ' ' THR . 86.9 m95 -95.11 88.59 5.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.354 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 38' ' ' ARG . 33.7 m -94.23 171.52 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.893 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.19 95.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.834 0.349 . . . . 0.0 111.056 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 m -66.73 -22.91 66.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.952 0.405 . . . . 0.0 110.775 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -73.91 -42.13 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.052 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' A' ' 34' ' ' TRP . 1.5 mptm? -52.64 -58.86 5.46 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.885 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.783 HD12 HD21 ' A' ' 74' ' ' LEU . 30.1 mm -58.77 -37.57 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.119 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.84 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 38' ' ' ARG . 40.2 t -70.67 -53.26 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -60.85 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 -176.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.561 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.8 mtt-85 -69.67 -33.17 72.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.665 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.521 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -65.91 -42.36 94.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.648 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.2 m -85.98 -50.54 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 122.505 -0.409 . . . . 0.0 111.471 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.551 HD12 HG12 ' A' ' 43' ' ' VAL . 25.1 mt -72.54 -48.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -173.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 66.3 t80 -88.4 -16.04 33.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.317 0.579 . . . . 0.0 109.837 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.27 -74.65 1.06 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.446 -0.797 . . . . 0.0 114.434 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.545 ' HB3' HG23 ' A' ' 51' ' ' ILE . 9.2 mp -105.95 -75.37 0.63 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -164.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -127.77 -177.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -162.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.791 HG23 ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -76.85 159.11 30.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.468 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.08 -28.27 68.96 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.136 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.23 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.302 0.572 . . . . 0.0 110.533 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.791 ' HG2' HG23 ' A' ' 52' ' ' THR . 26.2 mm-40 -74.88 -36.14 62.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.598 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -73.85 -6.42 47.0 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.123 177.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 20.7 mtpp -87.51 -45.27 10.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.98 0.419 . . . . 0.0 109.987 173.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.402 HE21 ' HA ' ' A' ' 55' ' ' GLU . 43.3 mt-30 -60.8 -37.61 82.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.302 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 m -100.22 -55.64 2.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.512 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.5 m-85 -106.58 16.2 24.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.154 -171.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -56.26 -37.44 73.14 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-O 119.312 -0.715 . . . . 0.0 114.694 -167.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 55.89 -95.25 0.05 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -173.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.451 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 21.1 p -142.34 146.01 34.53 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 166.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -48.28 -52.23 22.24 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 69' ' ' SER . 7.2 tp10 -64.98 -34.04 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.428 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.05 -53.72 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.7 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.06 -44.52 92.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.0 110.063 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.264 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 3.9 t -68.04 -30.17 69.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 41.5 m0 -71.29 -45.9 62.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.81 176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 43' ' ' VAL . 11.3 t -60.54 -45.77 96.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.6 p -68.15 -26.8 65.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.185 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.31 60.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.229 0.537 . . . . 0.0 109.837 176.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.783 HD21 HD12 ' A' ' 40' ' ' ILE . 70.7 mt -77.54 -21.19 52.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.613 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.71 -44.16 74.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.129 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 69.46 -50.86 0.61 Allowed 'General case' 0 N--CA 1.469 0.513 0 O-C-N 124.253 0.971 . . . . 0.0 111.357 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -84.25 -48.8 9.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.205 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.96 -54.85 3.48 Favored Glycine 0 CA--C 1.52 0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.812 174.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.98 -38.77 83.52 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.609 0.364 . . . . 0.0 111.709 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 82' ' ' LEU . 2.3 m-20 -59.27 -64.93 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.45 -27.28 0.19 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.343 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 80' ' ' ASP . 3.9 pp -104.37 -7.77 19.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -101.03 -9.3 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.094 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.61 112.76 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.26 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.4 m -53.24 -36.87 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.79 84.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.053 0.454 . . . . 0.0 111.366 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -89.53 -38.55 13.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -175.13 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -61.01 -37.18 81.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.164 176.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -72.82 -42.99 63.24 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.598 ' HE1' ' HA ' ' A' ' 52' ' ' THR . 79.5 t80 -57.8 -54.03 51.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.636 0.585 . . . . 0.0 110.895 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -66.51 -31.97 73.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.034 0.445 . . . . 0.0 110.555 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 92' ' ' GLN . 4.9 tt0 -68.49 -47.18 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 174.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.52 -33.93 75.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.216 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.1 mp -74.82 -18.86 60.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.977 0.418 . . . . 0.0 111.22 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.657 ' HG2' ' HB3' ' A' ' 100' ' ' HIS . 8.1 tp10 -110.08 168.48 9.4 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.059 -175.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -129.38 150.96 50.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.79 0.329 . . . . 0.0 110.518 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' A' ' 98' ' ' HIS . 0.4 OUTLIER -54.46 143.35 24.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.441 -177.661 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 97' ' ' HIS . 82.9 m-70 75.83 1.9 3.6 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.91 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -103.45 -33.27 9.13 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.657 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 55.7 t-80 -153.81 148.17 26.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.319 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.265 -0.874 . . . . 0.0 109.484 177.57 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.716 0.293 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.08 151.52 28.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 168.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.1 t80 68.21 27.23 6.8 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.961 0.886 . . . . 0.0 109.541 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.6 tp -102.7 93.14 4.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.04 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 56.85 28.86 15.15 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.133 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -96.43 8.61 43.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.473 0.654 . . . . 0.0 109.873 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 t -131.69 142.98 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 58.31 79.67 0.2 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.816 0.817 . . . . 0.0 110.116 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.92 55.12 2.32 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.735 -174.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.3 163.16 39.73 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.094 1.862 . . . . 0.0 111.827 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -90.12 -30.54 17.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.031 -175.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -93.72 139.8 30.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.861 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.86 145.46 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 0.0 110.715 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -101.95 118.7 37.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.966 0.412 . . . . 0.0 110.469 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' HD3' ' A' ' 44' ' ' ARG . 60.4 mt -74.3 152.86 88.11 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.744 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.54 -16.79 31.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.503 2.135 . . . . 0.0 111.75 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.12 -17.69 61.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.743 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.26 3.54 55.51 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.249 -178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.1 t -100.11 142.49 31.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.6 pt -100.17 129.21 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.381 . . . . 0.0 110.179 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 95.1 mmm -115.53 138.79 50.68 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.308 0.575 . . . . 0.0 111.49 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.458 ' H ' ' HB2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -133.47 169.74 16.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 176.063 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -64.56 -31.47 72.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 118.136 0.425 . . . . 0.0 111.165 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.2 -3.66 52.98 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.909 0.385 . . . . 0.0 111.41 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' A' ' 22' ' ' THR . 28.2 m-20 -98.46 -1.6 40.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.285 0.564 . . . . 0.0 109.606 176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD21 ' HA3' ' A' ' 45' ' ' GLY . 99.1 mt -92.73 139.4 23.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.718 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.542 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 88.2 Cg_exo -46.67 111.81 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 123.102 2.535 . . . . 0.0 112.299 173.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 3.0 Cg_exo -75.49 62.53 6.27 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 123.302 2.668 . . . . 0.0 113.028 -173.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.16 -59.32 0.48 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.819 0.848 . . . . 0.0 112.07 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -74.31 -67.34 0.63 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.175 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 7.8 m 71.18 138.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.763 0.664 . . . . 0.0 111.135 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -96.68 90.55 5.34 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.918 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 74.27 106.44 0.07 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -80.68 90.48 5.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.191 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 38' ' ' ARG . 31.8 m -81.71 168.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.71 87.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.658 0.265 . . . . 0.0 111.219 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -60.82 -31.51 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.251 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.93 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -71.52 -46.29 60.08 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.797 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 86.8 mttt -64.67 -51.02 64.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.13 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.401 HG22 ' HD2' ' A' ' 44' ' ' ARG . 61.2 mt -59.26 -33.06 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.355 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 38' ' ' ARG . 7.7 t -67.35 -53.62 30.95 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -60.05 -43.34 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 -178.598 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HD3' HD13 ' A' ' 15' ' ' LEU . 28.5 mtt85 -62.72 -43.71 98.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 176.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.613 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -68.98 -48.63 46.7 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.949 -0.569 . . . . 0.0 113.698 -175.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 42' ' ' VAL . 27.1 m -73.35 -49.11 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.402 0.601 . . . . 0.0 111.497 -176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.603 HG23 ' CD1' ' A' ' 90' ' ' TYR . 40.8 mt -62.25 -46.01 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 123.532 0.52 . . . . 0.0 111.967 -174.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.79 -32.76 13.85 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.44 -55.93 0.84 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 115.243 0.857 . . . . 0.0 115.243 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.87 ' HG ' HG13 ' A' ' 51' ' ' ILE . 34.2 tp -94.39 -77.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -159.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.87 HG13 ' HG ' ' A' ' 50' ' ' LEU . 1.8 pp -151.3 179.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.351 0.596 . . . . 0.0 112.508 -169.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.9 p -75.01 165.86 24.59 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.047 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.15 -19.88 65.97 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.804 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.71 -50.27 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.529 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HB3' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -69.39 -50.52 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.621 -179.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.11 -41.32 75.06 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.953 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 34.5 ttpt -68.03 -43.97 77.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.406 0.548 . . . . 0.0 111.099 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.71 -35.22 79.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.768 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.0 m -100.09 -55.99 2.48 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 111.862 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 19.9 m-85 -105.58 16.49 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -173.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -65.31 -17.77 64.4 Favored Glycine 0 C--N 1.335 0.474 0 CA-C-O 119.417 -0.657 . . . . 0.0 114.458 -169.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 53.23 -95.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.16 -179.351 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.491 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 23.9 t -151.41 151.44 31.7 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 172.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.722 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 10.4 t70 -48.49 -49.7 34.74 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.469 0.481 . . . . 0.0 110.303 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 6.7 mt-10 -50.63 -44.52 57.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.012 -177.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.7 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.73 -36.03 73.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.237 0.542 . . . . 0.0 110.737 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.722 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.7 t-20 -56.59 -44.65 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.568 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -65.08 -32.06 73.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.528 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.514 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 29.8 m0 -62.35 -51.41 67.72 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.144 0.497 . . . . 0.0 109.894 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 t -69.28 -35.95 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.751 -177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.6 t -62.74 -41.53 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.566 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.16 -27.23 61.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.074 0.464 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.5 mt -83.16 -26.75 30.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.874 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -77.1 -42.79 36.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.44 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 5.0 mm-40 71.87 -45.96 0.63 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.98 0.8 . . . . 0.0 112.275 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.573 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 74.7 m-70 -94.03 -77.82 0.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.739 0.304 . . . . 0.0 110.923 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.54 -27.69 19.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.527 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -68.31 -29.21 67.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 77' ' ' HIS . 29.5 p-10 -97.78 36.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.536 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.38 -4.18 10.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.107 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.0 tp -86.61 -15.27 40.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.581 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 35.8 ttpt -105.7 -91.37 0.4 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.646 176.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' A' ' 87' ' ' LEU . 31.8 t 43.11 100.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.836 0.855 . . . . 0.0 112.155 -176.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.5 p -48.58 -44.28 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.52 -26.28 62.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.547 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 3.2 tm? -90.24 -42.77 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -175.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 86.2 tttt -60.24 -40.52 90.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' ' 89' ' ' LYS . 20.7 ttmm -66.71 -44.04 82.69 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.355 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.603 ' CD1' HG23 ' A' ' 47' ' ' ILE . 21.9 t80 -56.61 -50.41 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.78 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -62.88 -49.09 76.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -60.04 -40.59 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.503 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 60.9 tp -69.46 -33.91 73.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.002 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 90' ' ' TYR . 6.0 mp -72.87 -46.09 54.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.422 177.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.95 -49.4 75.79 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 93' ' ' LEU . 3.0 t-160 51.03 33.36 8.89 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.063 0.852 . . . . 0.0 112.526 165.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -65.86 -58.39 5.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 111.167 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -147.69 167.78 23.76 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -122.28 145.92 47.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.91 0.386 . . . . 0.0 111.313 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -160.59 173.78 14.99 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.499 175.466 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 67.7 mtt -136.01 146.99 47.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.106 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.637 ' HB3' ' HA ' ' A' ' 6' ' ' LYS . 96.3 m-85 -92.67 96.73 10.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.051 178.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 2.9 pp -81.81 -16.44 50.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.079 0.466 . . . . 0.0 111.175 -177.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 5' ' ' ARG . 5.8 tpm_? -105.53 -27.58 11.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 3' ' ' PHE . 4.7 ttmp? 71.95 -78.56 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.963 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t 58.72 83.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.522 0.677 . . . . 0.0 111.667 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -138.13 27.41 2.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 172.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.19 72.26 0.38 Allowed Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.78 -172.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.41 115.61 2.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.906 2.404 . . . . 0.0 112.679 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -92.37 -1.39 57.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.81 176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -107.24 141.74 38.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.362 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -87.57 140.54 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.279 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -97.09 111.98 23.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 110.013 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD13 ' HE ' ' A' ' 44' ' ' ARG . 80.3 mt -80.24 159.14 70.96 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 -178.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 29.6 Cg_endo -63.19 -8.16 13.68 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.934 2.423 . . . . 0.0 113.158 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.27 -16.65 51.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.179 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.2 -8.65 59.13 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 p -87.49 143.66 27.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.412 HG12 HH22 ' A' ' 5' ' ' ARG . 2.7 pp -106.03 140.82 22.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.412 ' HB3' ' HE2' ' A' ' 21' ' ' MET . 86.4 mtp -135.6 137.32 41.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.083 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 m -97.88 163.56 12.74 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -73.34 54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.888 0.851 . . . . 0.0 110.332 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.94 -32.81 0.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.744 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -73.39 -10.09 59.38 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.487 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.9 mt -68.07 145.12 97.53 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.055 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.594 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 24.6 Cg_exo -62.31 115.21 2.72 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.488 2.125 . . . . 0.0 111.475 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 6.6 Cg_exo -73.69 73.55 3.5 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.082 2.521 . . . . 0.0 112.276 -176.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.38 -40.15 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.837 0.855 . . . . 0.0 112.086 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -152.45 97.79 2.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.328 0.585 . . . . 0.0 109.885 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 12.6 t -76.95 14.37 0.87 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.062 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 72.36 -56.51 0.65 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.95 0.9 . . . . 0.0 111.303 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 33' ' ' ARG . 63.4 mtt85 -120.8 105.49 10.78 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.428 0.632 . . . . 0.0 110.482 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.431 ' CH2' ' HB2' ' A' ' 27' ' ' PRO . 93.5 m95 -90.12 91.73 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.042 -175.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 38' ' ' ARG . 28.2 m -80.37 157.32 4.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.057 175.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' ILE . . . -53.75 -47.16 70.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.3 0.375 . . . . 0.0 111.573 -176.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -58.86 -37.09 75.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HG2' ' HG3' ' A' ' 27' ' ' PRO . 17.0 ttt180 -81.5 -25.82 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 92.1 mttt -64.66 -51.05 64.58 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.58 0.705 . . . . 0.0 109.289 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.603 HG22 ' HD2' ' A' ' 44' ' ' ARG . 57.4 mt -56.67 -37.74 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.831 175.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.525 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . . . -59.71 -33.84 72.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.78 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 38' ' ' ARG . 6.7 t -67.72 -50.77 57.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.986 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.464 HG13 ' HE3' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -64.47 -46.84 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.164 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.603 ' HD2' HG22 ' A' ' 40' ' ' ILE . 2.2 ptm180 -69.21 -32.36 71.57 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.546 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.67 -47.08 63.72 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.31 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.624 HG23 HG13 ' A' ' 47' ' ' ILE . 27.0 m -75.95 -52.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.692 -177.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.624 HG13 HG23 ' A' ' 46' ' ' VAL . 73.9 mt -71.22 -41.4 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -170.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 44' ' ' ARG . 54.2 t80 -79.98 -37.16 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.055 0.455 . . . . 0.0 110.692 -177.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.32 -61.9 0.73 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.293 -0.956 . . . . 0.0 115.204 -171.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -105.67 -75.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -159.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' CG ' ' A' ' 55' ' ' GLU . 17.3 pt -124.38 -176.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -161.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 76.8 p -97.21 178.89 5.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.205 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.591 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 41.9 tp -73.21 -20.44 60.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.139 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 58' ' ' GLN . . . -59.95 -51.56 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' CG ' HD12 ' A' ' 51' ' ' ILE . 10.9 tp10 -70.53 -39.12 74.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.931 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -62.3 -19.61 63.47 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.958 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 67.7 mttm -81.99 -45.08 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.146 0.43 . . . . 0.0 110.063 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 65.7 mm-40 -60.22 -40.63 90.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.249 -176.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.2 m -100.96 -49.77 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.013 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 56.4 m-85 -105.79 18.22 22.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.338 -170.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.81 8.76 1.63 Allowed Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.167 -1.352 . . . . 0.0 115.707 -171.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -6.44 -80.32 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.84 1.256 . . . . 0.0 113.763 -179.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 12.6 t -129.98 131.57 45.96 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 168.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.16 -44.29 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.352 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -75.2 -31.06 60.8 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.785 -177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 22.6 tp10 -57.06 -50.75 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.459 ' CE1' HD13 ' A' ' 53' ' ' LEU . 25.6 t80 -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.097 0.475 . . . . 0.0 109.772 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.07 -40.52 96.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.882 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.2 p -68.1 -22.21 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.484 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.509 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.6 m0 -66.93 -53.53 30.95 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.598 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.25 -38.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.33 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -65.14 -28.73 69.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.079 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.52 -24.68 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 110.665 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 70' ' ' TRP . 84.7 mt -71.75 -27.16 62.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.393 0.616 . . . . 0.0 109.654 177.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.56 -63.8 1.22 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.5 171.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 58.76 -81.41 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.296 1.038 . . . . 0.0 112.121 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -130.8 15.96 5.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.012 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.67 -32.08 73.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.137 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.9 tttp 72.66 -34.52 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.772 0.829 . . . . 0.0 111.741 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.73 69.1 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.919 0.866 . . . . 0.0 109.448 174.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . -95.73 10.64 36.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.903 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.5 mt -95.13 -32.15 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.746 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -112.43 20.64 16.49 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 111.078 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 40.3 t -66.72 122.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.4 p -53.85 -65.02 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.556 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.58 -25.17 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.995 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -82.57 -50.76 8.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -66.28 -31.47 72.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.434 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -66.95 -45.41 77.88 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.829 175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.46 ' O ' HD13 ' A' ' 94' ' ' LEU . 34.8 t80 -64.25 -45.82 86.47 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.436 -0.505 . . . . 0.0 110.42 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -62.9 -31.7 72.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -79.73 -38.47 33.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.651 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.59 -20.78 65.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.63 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 90' ' ' TYR . 10.4 mp -89.03 15.1 9.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.701 178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.36 -23.26 63.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.697 0.284 . . . . 0.0 111.171 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -82.67 37.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -170.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -96.98 -68.76 0.78 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 165.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 29.2 t60 49.02 74.64 0.17 Allowed 'General case' 0 N--CA 1.463 0.196 0 O-C-N 124.196 0.935 . . . . 0.0 112.402 164.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -119.28 -40.98 2.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 60.7 -87.47 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.244 0.618 . . . . 0.0 111.574 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.705 -0.664 . . . . 0.0 109.619 -175.699 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 52.3 ttm -73.4 -38.77 65.49 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 111.261 -177.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -139.04 143.15 38.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.349 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp -157.72 -62.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 43.2 mtt180 -80.33 77.01 7.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.263 -172.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 57.3 tttm 173.14 -32.44 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.4 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -136.03 -171.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.962 -172.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 67.54 -72.86 0.09 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 124.376 1.048 . . . . 0.0 110.945 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.27 72.8 0.19 Allowed Glycine 0 N--CA 1.438 -1.197 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.21 137.41 56.32 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.29 1.993 . . . . 0.0 110.996 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -63.95 -53.06 56.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.842 -172.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -114.85 155.09 27.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -172.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 m -95.28 133.28 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.181 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -92.77 100.17 12.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.181 0.515 . . . . 0.0 109.696 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.571 HD13 ' HD3' ' A' ' 44' ' ' ARG . 87.5 mt -79.49 158.16 74.06 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.269 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.65 -3.88 3.96 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.321 2.68 . . . . 0.0 113.572 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -89.03 -2.3 58.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.038 0.447 . . . . 0.0 110.595 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.23 27.49 48.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.062 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -119.41 134.5 55.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.557 0.218 . . . . 0.0 110.585 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.9 103.12 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.479 0.657 . . . . 0.0 109.913 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 87.1 mtp -104.01 131.31 51.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.589 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 23' ' ' ARG . 2.0 m -105.5 175.09 5.61 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' H ' HG22 ' A' ' 22' ' ' THR . 38.2 ttm-85 -58.5 -17.56 22.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.812 0.339 . . . . 0.0 111.615 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.32 -3.22 55.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.711 0.291 . . . . 0.0 111.654 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.87 -0.05 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.512 . . . . 0.0 110.541 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -98.52 131.52 25.82 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.293 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.612 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 26.5 Cg_exo -61.74 109.44 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.24 1.96 . . . . 0.0 110.704 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.5 -37.84 96.54 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.82 2.346 . . . . 0.0 112.617 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -174.19 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -135.75 89.22 2.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.693 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 15.3 t -69.97 161.91 29.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -38.69 91.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.33 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -145.01 110.78 5.39 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -74.99 87.68 2.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 35.6 m -94.09 172.08 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.385 176.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.71 73.65 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.349 0.405 . . . . 0.0 111.404 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 m -62.52 -36.0 81.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.885 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -66.51 -47.41 73.04 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.537 177.171 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 27.1 mtpp -55.87 -56.79 16.39 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.433 0.458 . . . . 0.0 111.0 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.15 -39.06 77.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.948 0.404 . . . . 0.0 111.299 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.02 73.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.382 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 38' ' ' ARG . 32.2 t -72.9 -42.08 60.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.556 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.509 HG12 HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -66.35 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 109.991 -179.36 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.571 ' HD3' HD13 ' A' ' 15' ' ' LEU . 4.5 ppt_? -79.49 -5.71 55.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.611 -176.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.02 -45.99 18.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.691 175.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 42' ' ' VAL . 28.8 m -84.46 -43.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.659 177.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.509 HD12 HG12 ' A' ' 43' ' ' VAL . 21.4 mt -64.98 -44.43 96.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.211 -175.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -97.41 -9.42 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.989 0.423 . . . . 0.0 110.24 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.54 -75.04 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.974 -173.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -105.55 -75.22 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -166.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pp -122.05 -178.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -167.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 p -80.29 173.72 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.733 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.9 tp -69.36 -13.67 62.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.88 10.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -42.15 96.28 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -60.91 -18.72 58.26 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.949 176.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.701 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 18.1 ttmt -96.55 -35.19 11.18 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.859 -0.737 . . . . 0.0 110.303 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.73 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.669 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.7 m -98.92 -54.28 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.507 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.569 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 32.6 m-85 -104.51 16.12 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.781 -0.191 . . . . 0.0 110.596 -170.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.701 ' HA2' ' HA ' ' A' ' 57' ' ' LYS . . . -52.29 -38.19 49.08 Favored Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 -170.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 57.44 -82.48 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.592 0.71 . . . . 0.0 109.769 -173.368 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 35.2 t -158.38 146.75 18.63 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 172.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.742 ' O ' ' HB2' ' A' ' 68' ' ' ASN . 14.3 t70 -56.46 -42.15 77.72 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.11 -40.19 95.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -59.77 -62.47 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.561 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -62.07 -35.59 79.1 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 110.29 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.742 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.6 t-20 -60.46 -41.11 93.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.42 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -66.64 -27.39 67.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.952 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.433 ' CZ3' ' HB ' ' A' ' 42' ' ' VAL . 37.0 m0 -64.3 -47.15 80.58 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 109.55 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.44 HG12 HG11 ' A' ' 84' ' ' VAL . 21.8 t -67.4 -37.16 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.3 t -63.27 -31.47 72.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.661 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.93 -29.67 58.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 110.604 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.21 -5.26 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.348 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 84' ' ' VAL . . . -63.25 -51.75 64.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.768 176.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 63.47 18.69 11.23 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.263 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 80' ' ' ASP . 30.2 m170 -120.17 -67.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.949 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 80' ' ' ASP . . . 90.38 123.25 2.59 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.195 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 79' ' ' LYS . 71.4 mmtt 68.15 -38.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.514 0.726 . . . . 0.0 111.566 -172.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.58 ' HB3' ' HB3' ' A' ' 77' ' ' HIS . 15.0 t70 -84.22 77.83 9.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.73 16.11 7.25 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.457 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.74 -36.13 11.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.622 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 49.9 mttm -104.21 25.22 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.763 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 75' ' ' ALA . 86.5 t -58.02 128.33 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.62 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 35.2 p -48.52 -71.92 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.12 -23.25 66.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -49.97 10.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -69.5 -29.2 66.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 85' ' ' THR . 65.8 mttm -62.73 -52.73 62.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 174.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.541 ' O ' HD13 ' A' ' 94' ' ' LEU . 3.3 t80 -64.05 -42.56 97.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.538 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -70.3 -40.38 74.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.262 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.446 ' NE2' ' HB2' ' A' ' 95' ' ' GLU . 21.2 tp60 -74.74 -33.03 62.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.86 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.99 -22.82 67.06 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.401 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 90' ' ' TYR . 10.3 mp -82.5 -9.47 59.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.446 ' HB2' ' NE2' ' A' ' 92' ' ' GLN . 43.5 mt-10 -102.4 134.63 45.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.324 177.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -88.69 39.87 0.94 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.645 0.736 . . . . 0.0 109.386 173.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -79.63 145.61 32.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.201 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -65.06 115.55 5.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.934 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -66.2 135.05 53.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.942 175.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -82.23 71.97 9.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 . . . . . 0 C--O 1.246 0.903 0 O-C-N 123.746 0.654 . . . . 0.0 110.021 -175.367 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.576 0.227 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 52.2 ttm -117.69 141.89 47.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -84.2 29.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.025 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.4 mt 71.79 -50.67 0.69 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.784 0.834 . . . . 0.0 111.291 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 28.7 ttp180 -136.49 170.13 16.56 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.634 ' HB2' ' HG2' ' A' ' 8' ' ' GLU . 7.7 ptpp? -65.3 134.13 52.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.375 0.607 . . . . 0.0 111.335 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 5.3 t -114.69 23.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.224 1.011 . . . . 0.0 108.552 177.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.634 ' HG2' ' HB2' ' A' ' 6' ' ' LYS . 12.6 pt-20 -80.68 112.14 17.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.432 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.51 57.66 18.65 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 115.582 -0.736 . . . . 0.0 114.168 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 7' ' ' VAL . 47.2 Cg_endo -68.75 120.47 7.39 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.294 1.996 . . . . 0.0 111.567 173.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.27 4.77 53.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.346 0.593 . . . . 0.0 110.956 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -114.0 118.33 33.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.603 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG11 ' HA2' ' A' ' 49' ' ' GLY . 26.3 m -107.43 147.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.14 0.495 . . . . 0.0 111.475 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -101.33 112.95 25.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.089 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -80.48 155.89 73.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.338 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.75 -6.02 4.13 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.379 2.719 . . . . 0.0 114.417 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.82 -12.51 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.064 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.13 10.25 61.26 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -174.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -98.98 147.17 25.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.391 -0.404 . . . . 0.0 110.525 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 pt -101.97 129.41 53.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.939 0.399 . . . . 0.0 110.277 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.3 mmm -126.68 162.09 26.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.255 0.55 . . . . 0.0 110.864 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -163.91 178.4 7.8 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.002 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 26' ' ' LEU . 15.0 tpt180 -67.36 -18.96 65.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 111.144 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.4 65.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.489 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -90.8 -14.43 31.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.476 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 23' ' ' ARG . 1.1 tm? -59.69 121.69 59.51 Favored Pre-proline 0 C--N 1.33 -0.251 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 173.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.581 ' HG2' HG22 ' A' ' 42' ' ' VAL . 4.8 Cg_exo -33.38 109.48 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 124.276 3.317 . . . . 0.0 114.661 -173.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 27' ' ' PRO . 13.5 Cg_exo -73.29 58.35 3.62 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 124.226 3.284 . . . . 0.0 113.018 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.39 -71.65 0.11 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.017 0.527 . . . . 0.0 111.514 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.42 -49.32 50.06 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 27' ' ' PRO . 9.4 m 63.61 99.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 173.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 32' ' ' ARG . 3.8 ttm180 -69.04 110.61 4.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 30.7 mmt180 71.14 101.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.954 0.784 . . . . 0.0 112.485 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -83.86 102.09 12.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.619 170.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' ARG . 30.9 m -98.8 163.41 2.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.139 176.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.94 73.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -60.04 -37.21 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.0 mtt180 -77.13 -28.13 54.16 Favored 'General case' 0 CA--C 1.514 -0.414 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.618 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -54.22 -54.61 37.59 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.78 0.8 . . . . 0.0 108.914 170.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG23 HD21 ' A' ' 74' ' ' LEU . 49.0 mt -63.01 -35.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.669 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -65.78 -33.78 76.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.928 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 38' ' ' ARG . 30.2 t -70.32 -55.88 13.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -58.68 -43.42 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.791 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' NE ' HG22 ' A' ' 40' ' ' ILE . 72.3 mtm180 -73.58 -35.03 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.802 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.34 -31.64 77.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.203 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 42' ' ' VAL . 26.9 m -91.84 -54.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 O-C-N 122.268 -0.548 . . . . 0.0 111.583 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.442 HG13 HG23 ' A' ' 46' ' ' VAL . 82.3 mt -63.4 -45.06 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.971 0.415 . . . . 0.0 111.795 -174.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -96.25 -16.16 21.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.344 0.592 . . . . 0.0 110.167 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.577 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -101.49 -73.57 1.02 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.468 -0.872 . . . . 0.0 114.59 -172.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.7 mt -101.63 -76.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -163.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -130.37 174.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.994 0.426 . . . . 0.0 111.97 -168.715 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -70.82 165.27 23.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.056 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 51.2 tp -64.54 -19.87 65.88 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.811 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.79 72.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.598 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB3' HG13 ' A' ' 51' ' ' ILE . 34.8 tt0 -81.85 -33.98 30.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.091 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -65.63 -20.83 66.46 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 177.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -82.12 -45.36 15.29 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -60.85 -44.23 97.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.1 m -95.24 -52.57 4.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.447 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 28.0 m-85 -105.36 15.79 26.67 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -171.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -71.61 -16.95 76.16 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.343 -174.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER 34.6 -100.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.862 0.865 . . . . 0.0 112.326 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB3' ' HB2' ' A' ' 66' ' ' GLU . 42.9 t -110.86 130.11 55.67 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.1 -43.26 77.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.889 0.376 . . . . 0.0 110.058 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -64.45 -34.07 77.34 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.723 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 31.4 tt0 -66.7 -51.73 52.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.684 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.51 -38.45 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.066 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.0 -42.85 94.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -63.9 -25.53 68.19 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.445 -175.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.455 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 50.3 m0 -70.57 -45.59 65.12 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 109.968 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.51 -41.22 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.819 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.3 p -69.21 -27.43 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.751 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.73 61.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.409 0.624 . . . . 0.0 109.955 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD21 HG23 ' A' ' 40' ' ' ILE . 93.6 mt -78.73 -39.98 34.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.121 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.81 69.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.787 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 71.19 -52.92 0.68 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.657 0.783 . . . . 0.0 110.543 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -86.76 93.96 9.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.844 172.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.67 62.88 2.74 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.173 -0.537 . . . . 0.0 111.961 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -163.84 -54.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.164 0.507 . . . . 0.0 109.841 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.07 -73.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.973 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . . . 60.4 19.02 8.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.686 176.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -88.0 -46.03 9.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.087 0.47 . . . . 0.0 110.201 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -84.77 5.94 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.886 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 81' ' ' ALA . 76.0 t -72.78 111.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.411 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 m -47.86 -51.88 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.865 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -175.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.7 tm? -88.6 -46.88 8.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -171.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -61.93 -38.33 88.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.245 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.55 -43.14 70.13 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.515 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 23.9 t80 -60.13 -46.66 88.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.005 0.431 . . . . 0.0 110.155 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.0 -45.56 73.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.494 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.4 -42.5 98.82 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.172 0.511 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.02 -46.11 85.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.829 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 75.3 mt -73.99 -15.89 61.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.617 -177.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.426 ' HA ' ' OE1' ' A' ' 95' ' ' GLU . 5.0 tp10 -74.42 -13.55 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.869 0.366 . . . . 0.0 110.306 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 69.54 0.17 2.84 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.548 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -82.38 81.59 8.18 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -106.61 -46.12 4.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.566 -166.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.9 m80 64.85 105.97 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.711 0.632 . . . . 0.0 111.835 -175.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -96.52 -11.54 25.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.281 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.1 t60 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.324 178.052 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 111.087 0.032 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 68.8 mtm 72.17 -59.99 0.54 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.434 0.694 . . . . 0.0 111.749 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -128.14 138.86 52.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.675 0.274 . . . . 0.0 110.386 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -139.61 -54.09 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.695 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -77.71 82.35 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 110.318 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -171.52 -33.0 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 23.9 t -81.06 165.61 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.011 169.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 44.6 mt-10 79.54 -32.67 0.14 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.432 0.693 . . . . 0.0 110.44 -175.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' N ' ' HD3' ' A' ' 10' ' ' PRO . . . -146.1 65.82 0.43 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.438 176.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 9' ' ' GLY . 9.7 Cg_exo -72.11 39.28 0.39 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.942 2.428 . . . . 0.0 112.604 176.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -88.95 -0.72 57.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.238 0.542 . . . . 0.0 109.979 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -69.2 107.21 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.675 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG11 ' HA2' ' A' ' 49' ' ' GLY . 18.1 m -79.62 136.74 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.761 -170.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 m -96.23 104.94 16.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.557 173.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.883 HD12 ' HB2' ' A' ' 19' ' ' SER . 57.1 mt -61.73 133.69 93.67 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.507 177.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 36.5 Cg_exo -59.36 -10.48 10.96 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.05 2.5 . . . . 0.0 112.07 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.73 -22.52 40.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.42 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.3 55.4 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.324 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.883 ' HB2' HD12 ' A' ' 15' ' ' LEU . 11.9 m -152.47 149.94 29.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.978 0.418 . . . . 0.0 110.188 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -110.06 119.64 59.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.927 -176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 92.0 mmm -120.26 140.6 50.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.995 0.426 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 24' ' ' ALA . 10.3 t -164.19 -178.37 5.5 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.478 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -65.0 -17.58 64.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.705 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' H ' HG23 ' A' ' 22' ' ' THR . . . -88.04 -14.14 39.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 0.0 111.415 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -106.24 -21.03 13.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.143 0.496 . . . . 0.0 110.46 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.586 HD21 ' HA3' ' A' ' 45' ' ' GLY . 84.9 mt -74.96 128.28 85.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.913 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.558 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 86.1 Cg_exo -52.53 117.71 3.94 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 111.187 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 27' ' ' PRO . 9.5 Cg_endo -52.26 -40.53 69.63 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.636 2.891 . . . . 0.0 113.457 -173.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.47 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.728 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.475 ' HA ' ' HZ2' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -153.95 93.92 1.7 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.932 175.216 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.743 HG21 ' HD3' ' A' ' 38' ' ' ARG . 15.4 t -69.83 172.55 7.49 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.562 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -89.48 108.18 19.5 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 69.97 94.12 0.08 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.791 -175.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.475 ' HZ2' ' HA ' ' A' ' 30' ' ' ASN . 82.2 m95 -73.49 80.27 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.646 176.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 38' ' ' ARG . 27.1 m -74.58 159.96 5.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.7 -44.8 81.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 0.0 111.569 -174.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -65.69 -32.0 73.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.524 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.743 ' HD3' HG21 ' A' ' 31' ' ' THR . 8.2 ttt180 -73.87 -32.8 63.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.129 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' HD3' ' NE1' ' A' ' 70' ' ' TRP . 93.8 mttt -66.74 -46.29 75.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 109.717 174.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 74' ' ' LEU . 85.7 mt -58.58 -36.97 62.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.641 175.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.13 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.13 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 38' ' ' ARG . 16.5 t -64.69 -53.71 38.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.529 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -58.45 -43.39 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.547 ' HE ' HD13 ' A' ' 15' ' ' LEU . 17.6 mtp180 -62.81 -43.64 98.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.792 0.33 . . . . 0.0 110.459 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.586 ' HA3' HD21 ' A' ' 26' ' ' LEU . . . -69.63 -37.96 77.71 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.8 -0.637 . . . . 0.0 113.411 -177.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 42' ' ' VAL . 26.8 m -78.45 -58.03 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 117.524 0.662 . . . . 0.0 111.174 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.487 ' N ' HG23 ' A' ' 46' ' ' VAL . 71.9 mt -59.62 -52.29 62.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 O-C-N 123.602 0.564 . . . . 0.0 112.151 -171.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CD2' HD23 ' A' ' 15' ' ' LEU . 79.2 t80 -92.9 -18.6 22.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.314 0.578 . . . . 0.0 110.725 -175.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.52 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -92.93 -74.2 1.26 Allowed Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.969 -172.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.99 -75.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -165.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.753 HD13 ' H ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -114.72 167.88 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.152 0.501 . . . . 0.0 111.793 -167.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.0 p -76.78 169.84 17.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.262 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.12 -23.69 66.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.471 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.17 13.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.006 0.431 . . . . 0.0 110.732 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.58 ' HB3' HG13 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -61.37 -40.95 96.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.505 0.669 . . . . 0.0 109.65 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -11.66 60.5 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.154 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' O ' ' HA3' ' A' ' 61' ' ' GLY . 29.3 ttpp -93.56 -44.76 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.83 0.348 . . . . 0.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -71.49 -27.07 62.97 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.797 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.7 m -100.26 -56.17 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.764 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 24.7 m-85 -105.63 16.39 25.45 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 122.3 -0.25 . . . . 0.0 111.435 -174.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 57' ' ' LYS . . . -60.93 -24.59 62.91 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.005 -0.617 . . . . 0.0 114.475 -171.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 54.6 -91.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.21 0.529 . . . . 0.0 110.362 -177.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' A' ' 62' ' ' LEU . 50.1 m -148.31 146.09 28.42 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 171.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -54.77 -42.5 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.493 0.187 . . . . 0.0 111.476 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.3 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.01 -57.94 10.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.576 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.33 -40.33 95.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.694 -175.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.72 -34.64 74.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.5 t -62.49 -34.82 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.647 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.507 ' NE1' ' HD3' ' A' ' 39' ' ' LYS . 18.5 m0 -65.75 -51.07 62.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.54 . . . . 0.0 109.734 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.467 HG12 HG11 ' A' ' 84' ' ' VAL . 23.2 t -65.94 -35.7 75.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.455 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -67.06 -29.88 69.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.32 56.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 0.0 109.905 176.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 40' ' ' ILE . 97.4 mt -80.56 -2.97 48.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.843 178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 84' ' ' VAL . . . -76.45 -27.26 56.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.524 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 68.32 -60.54 0.42 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 124.173 0.92 . . . . 0.0 109.794 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -105.69 88.73 2.9 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 171.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.94 44.03 1.77 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.977 -172.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -118.03 -37.27 3.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.788 0.327 . . . . 0.0 110.825 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.52 -32.24 22.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.848 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 73.81 -18.95 0.37 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.435 0.694 . . . . 0.0 112.293 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.0 mm? -82.81 3.79 28.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.067 0.461 . . . . 0.0 110.874 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -125.13 8.84 7.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.042 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 75' ' ' ALA . 52.6 t -61.49 112.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 22.9 m -55.73 -52.32 64.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.393 0.433 . . . . 0.0 111.761 -174.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.71 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 111.791 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 84' ' ' VAL . 2.3 tm? -90.11 -40.44 12.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -173.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -61.74 -33.89 74.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.259 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 85' ' ' THR . 30.5 mtpp -70.64 -48.68 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.316 176.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.622 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 5.6 t80 -59.85 -51.28 70.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.628 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 91' ' ' ARG . 27.5 ttt85 -57.34 -48.91 77.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.51 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.96 -35.86 82.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.793 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.7 tp -78.86 -11.82 60.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.096 0.474 . . . . 0.0 111.174 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 90' ' ' TYR . 80.1 mt -83.8 -3.45 57.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.474 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.24 102.64 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 111.047 178.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -175.66 -144.79 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.237 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -52.56 151.06 4.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.91 0.386 . . . . 0.0 110.491 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -63.52 127.32 30.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.34 -171.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -104.83 9.99 34.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.339 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -179.9 -53.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 117.748 -1.12 . . . . 0.0 108.665 170.674 . . . . . . . . 0 0 . 1 stop_ save_